 Entering Gaussian System, Link 0=g16
 Input=30_ibuprofen_conformer04_B3LYPDBJ-def2SVPDr.in
 Output=30_ibuprofen_conformer04_B3LYPDBJ-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
            -H     0
            S    3   1.00
                 13.0107010              0.19682158D-01
                  1.9622572              0.13796524
                  0.44453796             0.47831935
            S    1   1.00
                  0.12194962             1.0000000
            P    1   1.00
                  0.8000000              1.0000000
            P    1   1.00
                  0.11704099050          1.0000000
            ****
            -He     0
            S    3   1.00
                 38.354936737            0.23814288905D-01
                  5.7689081479           0.15490906777
                  1.2399407035           0.46998096633
            S    1   1.00
                  0.29757815953          1.0000000
            P    1   1.00
                  1.0000000              1.0000000
            P    1   1.00
                  0.22039119441          1.0000000
            ****
            -Li     0
            S    5   1.00
                266.27785516             0.64920150325D-02
                 40.069783447            0.47747863215D-01
                  9.0559944389           0.20268796111
                  2.4503009051           0.48606574817
                  0.72209571855          0.43626977955
            S    1   1.00
                  0.52810884721D-01      1.0000000
            S    1   1.00
                  0.20960948798D-01      1.0000000
            P    2   1.00
                  1.4500000              0.2586000
                  0.3000000              1.0000000
            P    1   1.00
                  0.0820000              1.0000000
            P    1   1.00
                  0.26347662457D-01      1.0000000
            ****
            -Be     0
            S    5   1.00
                515.18616125             0.55615307983D-02
                 77.511037595            0.41190068062D-01
                 17.552481693            0.17913378108
                  4.8028940596           0.44736716455
                  1.4516214316           0.42009581920
            S    1   1.00
                  0.13281633620          1.0000000
            S    1   1.00
                  0.45837372213D-01      1.0000000
            P    3   1.00
                  3.6316917145          -0.29033998305D-01
                  0.71695694366         -0.16877854032
                  0.19541932860         -0.51403419628
            P    1   1.00
                  0.60515465890D-01      1.0000000
            P    1   1.00
                  0.30181880660D-01      1.0000000
            ****
            -B     0
            S    5   1.00
                839.31830086            -0.55929201074D-02
                126.26464843            -0.41565520771D-01
                 28.620600763           -0.18299816983
                  7.8793722710          -0.46540391866
                  2.4088857172          -0.44173884791
            S    1   1.00
                  0.25105109036          1.0000000
            S    1   1.00
                  0.83648866069D-01      1.0000000
            S    1   1.00
                  0.42351565332D-01      1.0000000
            P    3   1.00
                  6.0332223619          -0.35603672456D-01
                  1.2499157866          -0.19895775769
                  0.33871676350         -0.50850202618
            P    1   1.00
                  0.96415632351D-01      1.0000000
            D    1   1.00
                  0.5000000              1.0000000
            D    1   1.00
                  0.74392443101D-01      1.0000000
            ****
            -C     0
            S    5   1.00
               1238.4016938              0.54568832082D-02
                186.29004992             0.40638409211D-01
                 42.251176346            0.18025593888
                 11.676557932            0.46315121755
                  3.5930506482           0.44087173314
            S    1   1.00
                  0.40245147363          1.0000000
            S    1   1.00
                  0.13090182668          1.0000000
            S    1   1.00
                  0.67053540256D-01      1.0000000
            P    3   1.00
                  9.4680970621           0.38387871728D-01
                  2.0103545142           0.21117025112
                  0.54771004707          0.51328172114
            P    1   1.00
                  0.15268613795          1.0000000
            D    1   1.00
                  0.8000000              1.0000000
            D    1   1.00
                  0.11713185140          1.0000000
            ****
            -N     0
            S    5   1.00
               1712.8415853             -0.53934125305D-02
                257.64812677            -0.40221581118D-01
                 58.458245853           -0.17931144990
                 16.198367905           -0.46376317823
                  5.0052600809          -0.44171422662
            S    1   1.00
                  0.58731856571          1.0000000
            S    1   1.00
                  0.18764592253          1.0000000
            S    1   1.00
                  0.96171241529D-01      1.0000000
            P    3   1.00
                 13.571470233           -0.40072398852D-01
                  2.9257372874          -0.21807045028
                  0.79927750754         -0.51294466049
            P    1   1.00
                  0.21954348034          1.0000000
            D    1   1.00
                  1.0000000              1.0000000
            D    1   1.00
                  0.16697708112          1.0000000
            ****
            -O     0
            S    5   1.00
               2266.1767785             -0.53431809926D-02
                340.87010191            -0.39890039230D-01
                 77.363135167           -0.17853911985
                 21.479644940           -0.46427684959
                  6.6589433124          -0.44309745172
            S    1   1.00
                  0.80975975668          1.0000000
            S    1   1.00
                  0.25530772234          1.0000000
            S    1   1.00
                  0.76572453250D-01      1.0000000
            P    3   1.00
                 17.721504317            0.43394573193D-01
                  3.8635505440           0.23094120765
                  1.0480920883           0.51375311064
            P    1   1.00
                  0.27641544411          1.0000000
            P    1   1.00
                  0.69002276350D-01      1.0000000
            D    1   1.00
                  1.2000000              1.0000000
            D    1   1.00
                  0.17992024323          1.0000000
            ****
            -F     0
            S    5   1.00
               2894.8325990             -0.53408255515D-02
                435.41939120            -0.39904258866D-01
                 98.843328866           -0.17912768038
                 27.485198001           -0.46758090825
                  8.5405498171          -0.44653131020
            S    1   1.00
                  1.0654578038           1.0000000
            S    1   1.00
                  0.33247346748          1.0000000
            S    1   1.00
                  0.98097752264D-01      1.0000000
            P    3   1.00
                 22.696633924           -0.45212874436D-01
                  4.9872339257          -0.23754317067
                  1.3491613954          -0.51287353587
            P    1   1.00
                  0.34829881977          1.0000000
            P    1   1.00
                  0.83372148304D-01      1.0000000
            D    1   1.00
                  1.4000000              1.0000000
            D    1   1.00
                  0.22301361948          1.0000000
            ****
            -Ne     0
            S    5   1.00
               3598.9736625             -0.53259297003D-02
                541.32073112            -0.39817417969D-01
                122.90450062            -0.17914358188
                 34.216617022           -0.46893582977
                 10.650584124           -0.44782537577
            S    1   1.00
                  1.3545953960           1.0000000
            S    1   1.00
                  0.41919362639          1.0000000
            S    1   1.00
                  0.12055043545          1.0000000
            P    3   1.00
                 28.424053785           -0.46031944795D-01
                  6.2822510953          -0.23993183041
                  1.6978715079          -0.50871724964
            P    1   1.00
                  0.43300700172          1.0000000
            P    1   1.00
                  0.10141942051          1.0000000
            D    1   1.00
                  1.8880000              1.0000000
            D    1   1.00
                  0.28026803041          1.0000000
            ****
            -Na     0
            S    5   1.00
               4098.2003908             -0.58535911879D-02
                616.49374031            -0.43647161872D-01
                139.96644001            -0.19431465884
                 39.073441051           -0.48685065731
                 11.929847205           -0.41881705137
            S    3   1.00
                 20.659966030            0.85949689854D-01
                  1.9838860978          -0.56359144041
                  0.64836323942         -0.51954009048
            S    1   1.00
                  0.52443967404D-01      1.0000000
            S    1   1.00
                  0.28048160742D-01      1.0000000
            P    5   1.00
                 75.401862017            0.154353625324D-01
                 17.274818978            0.997382931840D-01
                  5.1842347425           0.312095939659
                  1.6601211973           0.492956748074
                  0.51232528958          0.324203983180
            P    1   1.00
                  0.0520000              1.0000000
            P    1   1.00
                  0.19853008514D-01      1.0000000
            D    1   1.00
                  0.1310000              1.0000000
            ****
            -Mg     0
            S    5   1.00
               4953.8339196             -0.57778967498D-02
                745.18044154            -0.43124761082D-01
                169.21604972            -0.19268216987
                 47.300672019           -0.48641439116
                 14.461336973           -0.42550894077
            S    3   1.00
                 24.768174789            0.87956969984D-01
                  2.4940945349          -0.55165058128
                  0.87807584533         -0.53443294833
            S    1   1.00
                  0.87212782497D-01      1.0000000
            S    1   1.00
                  0.33599293780D-01      1.0000000
            P    5   1.00
                 98.053010494           -0.14480564601D-01
                 22.586932277           -0.95495750787D-01
                  6.8391509842          -0.30787672651
                  2.2332843818          -0.49936292886
                  0.71606599387         -0.31503476213
            P    1   1.00
                  0.18914796195          1.0000000
            P    1   1.00
                  0.53768755187D-01      1.0000000
            P    1   1.00
                  0.23963578287D-01      1.0000000
            D    1   1.00
                  0.1010000              1.0000000
            ****
            -Al     0
            S    5   1.00
               5887.5727030              0.13483347987D-02
                885.61225996             0.10071576809D-01
                201.13604899             0.45132454056D-01
                 56.284974674            0.11461268043
                 17.229551243            0.10159608943
            S    3   1.00
                 29.340249922            0.69347454208D-01
                  3.0439630420          -0.42528117679
                  1.1285539518          -0.41449832210
            S    1   1.00
                  0.14234175160          1.0000000
            S    1   1.00
                  0.54400192313D-01      1.0000000
            S    1   1.00
                  0.32535359511D-01      1.0000000
            P    5   1.00
                145.11918809             0.63963373134D-02
                 33.717894833            0.44189359965D-01
                 10.369863083            0.15581575993
                  3.5135616036           0.28635286951
                  1.1980050273           0.22921423248
            P    1   1.00
                  0.26583005913          1.0000000
            P    1   1.00
                  0.71003361994D-01      1.0000000
            D    1   1.00
                  0.3000000              1.0000000
            D    1   1.00
                  0.53071685831D-01      1.0000000
            ****
            -Si     0
            S    5   1.00
               6903.7118686              0.13373962995D-02
               1038.4346419              0.99966546241D-02
                235.87581480             0.44910165101D-01
                 66.069385169            0.11463638540
                 20.247945761            0.10280063858
            S    3   1.00
                 34.353481730            0.70837285010D-01
                  3.6370788192          -0.43028836252
                  1.4002048599          -0.41382774969
            S    1   1.00
                  0.20484414805          1.0000000
            S    1   1.00
                  0.77994095468D-01      1.0000000
            S    1   1.00
                  0.46834778282D-01      1.0000000
            P    5   1.00
                179.83907373             0.61916656462D-02
                 41.907258846            0.43399431982D-01
                 12.955294367            0.15632019351
                  4.4383267393           0.29419996982
                  1.5462247904           0.23536823814
            P    1   1.00
                  0.35607612302          1.0000000
            P    1   1.00
                  0.10008513762          1.0000000
            D    1   1.00
                  0.3500000              1.0000000
            D    1   1.00
                  0.74117707708D-01      1.0000000
            ****
            -P     0
            S    5   1.00
               8002.4795106              0.57503489302D-02
               1203.6813590              0.43007628959D-01
                273.44227031             0.19363986252
                 76.655541517            0.49651693399
                 23.516927435            0.44983262479
            S    3   1.00
                 39.791683439            0.95188129789D-01
                  4.2770343323          -0.57649840368
                  1.6940256888          -0.54239583865
            S    1   1.00
                  0.27567674644          1.0000000
            S    1   1.00
                  0.10495590099          1.0000000
            S    1   1.00
                  0.64309734755D-01      1.0000000
            P    5   1.00
                219.50755823             0.92100565257D-02
                 51.274155030            0.65409765745D-01
                 15.921595892            0.24033730279
                  5.5069913481           0.46318321788
                  1.9537719426           0.37392563382
            P    1   1.00
                  0.47803397932          1.0000000
            P    1   1.00
                  0.13657952621          1.0000000
            D    1   1.00
                  0.4500000              1.0000000
            D    1   1.00
                  0.99587311089D-01      1.0000000
            ****
            -S     0
            S    5   1.00
               9184.9303010             -0.22294387756D-02
               1381.5105503             -0.16683029937D-01
                313.87147580            -0.75262436116D-01
                 88.053870623           -0.19376827038
                 27.039914905           -0.17718020803
            S    3   1.00
                 45.648731303           -0.10736062573
                  4.9664522326           0.65066293018
                  2.0116242047           0.59712155354
            S    1   1.00
                  0.35661077013          1.0000000
            S    1   1.00
                  0.13507221477          1.0000000
            S    1   1.00
                  0.44999823506D-01      1.0000000
            P    5   1.00
                261.98233439            -0.92729929822D-02
                 61.306894736           -0.66547669241D-01
                 19.103729887           -0.24828595903
                  6.6567720378          -0.48703847402
                  2.3959635161          -0.39337850312
            P    1   1.00
                  0.61776161679          1.0000000
            P    1   1.00
                  0.16993376871          1.0000000
            P    1   1.00
                  0.41706793676D-01      1.0000000
            D    1   1.00
                  0.5500000              1.0000000
            D    1   1.00
                  0.10172853717          1.0000000
            ****
            -Cl     0
            S    5   1.00
              10449.8275660              0.19708362484D-02
               1571.7365221              0.14754727977D-01
                357.12065523             0.66679112875D-01
                100.25185935             0.17228924084
                 30.812727554            0.15883786100
            S    3   1.00
                 51.923789434           -0.10009298909
                  5.7045760975           0.60841752753
                  2.3508376809           0.54352153355
            S    1   1.00
                  0.44605124672          1.0000000
            S    1   1.00
                  0.16848856190          1.0000000
            S    1   1.00
                  0.55344229413D-01      1.0000000
            P    5   1.00
                307.66790569            -0.87801484118D-02
                 72.102015515           -0.63563355471D-01
                 22.532680262           -0.24016428276
                  7.8991765444          -0.47798866557
                  2.8767268321          -0.38515850005
            P    1   1.00
                  0.77459363955          1.0000000
            P    1   1.00
                  0.21037699698          1.0000000
            P    1   1.00
                  0.50046271086D-01      1.0000000
            D    1   1.00
                  0.6500000              1.0000000
            D    1   1.00
                  0.12284803390          1.0000000
            ****
            -Ar     0
            S    5   1.00
              11797.1197650              0.20214479973D-02
               1774.3522753              0.15139852688D-01
                403.18875733             0.68525400873D-01
                113.24933999             0.17762929207
                 34.835298193            0.16496495001
            S    3   1.00
                 58.614775042           -0.10343394000
                  6.4922045078           0.63133365899
                  2.7117014403           0.54887572301
            S    1   1.00
                  0.54412974538          1.0000000
            S    1   1.00
                  0.20517411136          1.0000000
            S    1   1.00
                  0.66442487045D-01      1.0000000
            P    5   1.00
                356.28707256            -0.87321783271D-02
                 83.593132866           -0.63680317444D-01
                 26.186704029           -0.24311906886
                  9.2257275925          -0.48956069653
                  3.3922754954          -0.39229190040
            P    1   1.00
                  0.94740534010          1.0000000
            P    1   1.00
                  0.25659135062          1.0000000
            P    1   1.00
                  0.59491455142D-01      1.0000000
            D    1   1.00
                  0.6960000              1.0000000
            D    1   1.00
                  0.14309493859          1.0000000
            ****
            -K     0
            S    6   1.00
              31478.7467640              0.39838653994D-02
               4726.8876066              0.30501759762D-01
               1075.4345353              0.15073752622
                303.39811023             0.51912939801
                 98.327112831            1.0366957005
                 33.636222177            0.76398963199
            S    3   1.00
                 65.639209962           -0.28242617106
                  7.3162592218           1.6914935860
                  2.8902580135           1.2965331953
            S    3   1.00
                  4.5459748965          -0.76343555273D-02
                  0.70404124062          0.25635718960D-01
                  0.28266888959          0.16606859208D-01
            S    1   1.00
                  0.29058164020D-01      1.0000000
            S    1   1.00
                  0.12111638157D-01      1.0000000
            P    5   1.00
                361.22492154             0.20906479823D-01
                 84.670222166            0.15043641740
                 26.469088236            0.55440061077
                  9.2658077615           1.0409009991
                  3.3423388293           0.67825341194
            P    3   1.00
                  1.5100876104           0.75248191146
                  0.56568375163          1.3708585031
                  0.20817008495          0.66047633079
            P    1   1.00
                  0.0417370              1.0000000
            P    1   1.00
                  0.16603217986D-01      1.0000000
            D    1   1.00
                  0.3530000              1.0000000
            D    1   1.00
                  0.0980000              1.0000000
            ****
            -Ca     0
            S    6   1.00
              35138.7139290              0.39482520740D-02
               5276.4111348              0.30234243552D-01
               1200.4692589              0.14952019681
                338.71810542             0.51597345713
                109.85385922             1.0339510296
                 37.608880299            0.76937933526
            S    3   1.00
                 73.107977555           -0.28268525011
                  8.2407705688           1.6796092142
                  3.2959812993           1.2803766016
            S    3   1.00
                  5.2341800914          -0.76868604561D-02
                  0.84187220515          0.25382375978D-01
                  0.36510294029          0.16512171511D-01
            S    1   1.00
                  0.51222402884D-01      1.0000000
            S    1   1.00
                  0.19825111408D-01      1.0000000
            P    5   1.00
                413.11313893             0.20327135354D-01
                 96.935786224            0.14730276362
                 30.372154659            0.54887167322
                 10.684776830            1.0440659818
                  3.8821258350           0.68653490684
            P    3   1.00
                  1.7993016295           0.75410246871
                  0.69189056530          1.3409296599
                  0.26364024096          0.56391989435
            P    1   1.00
                  0.0749790              1.0000000
            P    1   1.00
                  0.23809355789D-01      1.0000000
            D    3   1.00
                  5.4979093879           0.73770011433D-01
                  1.3177128032           0.26052853169
                  0.32188682649          0.45233836380
            D    1   1.00
                  0.70528614919D-01      1.0000000
            ****
            -Sc     0
            S    6   1.00
              38956.0818040              0.39293205858D-02
               5849.5733637              0.30093221229D-01
               1330.8813154              0.14890370950
                375.55534165             0.51464282906
                121.87261370             1.0337708070
                 41.760243729            0.77436851627
            S    3   1.00
                 81.060633953           -0.28318552316
                  9.2059823972           1.6770806984
                  3.7063215732           1.2594733678
            S    3   1.00
                  5.9888909988          -0.77821367493D-02
                  0.97363432378          0.25499692745D-01
                  0.42041019223          0.16191560820D-01
            S    1   1.00
                  0.59440551913D-01      1.0000000
            S    1   1.00
                  0.22897806303D-01      1.0000000
            P    5   1.00
                466.31481262             0.19984300385D-01
                109.51217097             0.14561043072
                 34.375921827            0.54687466223
                 12.142096955            1.0479006012
                  4.4336767669           0.68894890327
            P    3   1.00
                  2.0971291866           0.75619214724
                  0.80977606956          1.3178212235
                  0.30834046588          0.54312268173
            P    1   1.00
                  0.0897480              1.0000000
            P    1   1.00
                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
                222.93325020            -0.11198808009
                 26.726257934            0.64752124207
                 11.124501923            0.44241976651
            S    3   1.00
                 19.888520061           -0.22857227762
                  3.3668473803           0.73591359951
                  1.5249277839           0.44330199577
            S    1   1.00
                  0.29630037912          1.0000000
            S    1   1.00
                  0.11009288974          1.0000000
            S    1   1.00
                  0.42167294728D-01      1.0000000
            P    5   1.00
               1455.9068120              0.88203597043D-02
                343.75101831             0.66875851967D-01
                109.29554964             0.26640578080
                 39.707711022            0.53834928422
                 14.950185232            0.36303281993
            P    3   1.00
                  8.0208962094           0.34153807025
                  3.2934649756           0.57257906583
                  1.4058602438           0.25549813222
            P    1   1.00
                  0.45076123226          1.0000000
            P    1   1.00
                  0.13353413325          1.0000000
            P    1   1.00
                  0.34396697938D-01      1.0000000
            D    4   1.00
                 94.494024044            0.23490101098D-01
                 27.188185260            0.13747735767D+00
                  9.5091567352           0.36649929124D+00
                  3.4170516853           0.48750989884D+00
            D    1   1.00
                  1.1479590083            .27657943383D+00
            D    1   1.00
                  0.3380000              1.0000000
            D    1   1.00
                  0.82767380906D-01      1.0000000
            ****
            -Br     0
            S    6   1.00
             113286.3877600              0.14283037779D-02
              17009.6263030              0.10950417496D-01
               3870.1842567              0.54421006604D-01
               1093.0357227              0.19047907695
                356.39721797             0.39024642737
                123.12539643             0.30814432514
            S    3   1.00
                236.74084007            -0.11228065671
                 28.468661070            0.64775962312
                 11.883443722            0.44235575986
            S    3   1.00
                 21.269633312           -0.22642576323
                  3.6129226841           0.73823712008
                  1.6626648969           0.42683868694
            S    1   1.00
                  0.34823793232          1.0000000
            S    1   1.00
                  0.13019031394          1.0000000
            S    1   1.00
                  0.50966709763D-01      1.0000000
            P    5   1.00
               1560.2801881              0.87166669072D-02
                368.47859205             0.66243637420D-01
                117.22978849             0.26495610385
                 42.648909248            0.53839160587
                 16.087225096            0.36579387888
            P    3   1.00
                  8.6352810058           0.34248787366
                  3.5613665502           0.57500678213
                  1.5292626609           0.24330394172
            P    1   1.00
                  0.53064294848          1.0000000
            P    1   1.00
                  0.15702758965          1.0000000
            P    1   1.00
                  0.39636841846D-01      1.0000000
            D    4   1.00
                104.85518642             0.22650147581D-01
                 30.281143688            0.13455483230
                 10.651394267            0.36474454537
                  3.8699456233           0.49044587056
            D    1   1.00
                  1.3240876762            .27137289040
            D    1   1.00
                  0.3890000              1.0000000
            D    1   1.00
                  0.96543342393D-01      1.0000000
            ****
            -Kr     0
            S    6   1.00
             120165.6487500              0.14294234496D-02
              18042.5001690              0.10959597020D-01
               4105.1800388              0.54479647470D-01
               1159.4447248              0.19081239122
                378.13810346             0.39140445949
                130.67610045             0.31007346689
            S    3   1.00
                250.96373353            -0.11258604011
                 30.265930380            0.64816322524
                 12.668110757            0.44240238994
            S    3   1.00
                 22.697940101           -0.22391964908
                  3.8673017398           0.74060953026
                  1.8013706671           0.40803658445
            S    1   1.00
                  0.40308639136          1.0000000
            S    1   1.00
                  0.15170527749          1.0000000
            S    1   1.00
                  0.60450731670D-01      1.0000000
            P    5   1.00
               1668.5736623              0.86215009803D-02
                394.13862798             0.65665506884D-01
                125.46644854             0.26366576697
                 45.704992729            0.53867658574
                 17.270133229            0.36865167502
            P    3   1.00
                  9.2699487770           0.34346189015
                  3.8364617719           0.57784776196
                  1.6467163312           0.23075615197
            P    1   1.00
                  0.61479686489          1.0000000
            P    1   1.00
                  0.18319467414          1.0000000
            P    1   1.00
                  0.45792563991D-01      1.0000000
            D    4   1.00
                115.55868603             0.21945485333D-01
                 33.477985864            0.13211212879
                 11.834450207            0.36333306964
                  4.3408254894           0.49300484446
            D    1   1.00
                  1.5079273157            .26676858913
            D    1   1.00
                  0.4430000              1.0000000
            D    1   1.00
                  0.11235044486          1.0000000
            ****
            -Rb     0
            S    3   1.00
                  4.6687885071           0.29008526793
                  2.9442428420          -0.67740090428
                  0.58171262989          0.45712389487
            S    1   1.00
                  0.45147933555          1.0000000
            S    1   1.00
                  0.21604923532          1.0000000
            S    1   1.00
                  0.32088816526D-01      1.0000000
            S    1   1.00
                  0.13833878175D-01      1.0000000
            P    4   1.00
                  5.5234179480           0.51234729472D-01
                  3.4120149646          -0.17337025646
                  0.76899021792          0.43339683188
                  0.33088071786          0.55354332721
            P    1   1.00
                  0.13423268441          1.0000000
            P    1   1.00
                  0.20642679613D-01      1.0000000
            P    1   1.00
                  0.43243763156D-02      1.0000000
            D    1   1.00
                  0.2260000              1.0000000
            D    1   1.00
                  0.27432280711D-01      1.0000000
            ****
            -Sr     0
            S    3   1.00
                  5.9276428767           0.19698765364
                  3.0691274814          -0.64852205985
                  0.70675488028          0.62064729022
            S    1   1.00
                  0.33824024280          1.0000000
            S    1   1.00
                  0.61768869200D-01      1.0000000
            S    1   1.00
                  0.25767593093D-01      1.0000000
            P    4   1.00
                  2.4324720000          -0.37145059848
                  1.6642340000           0.37856824234
                  0.59455471858          0.59874487803
                  0.26152621998          0.35314019512
            P    1   1.00
                  0.10258814042          1.0000000
            P    1   1.00
                  0.33223404030D-01      1.0000000
            P    1   1.00
                  0.16570352270D-01      1.0000000
            D    4   1.00
                  3.6180810000          -0.75010000000D-02
                  0.99665600000          0.10809800000
                  0.39073500000          0.27854000000
                  0.12277000000          0.47731800000
            D    1   1.00
                  0.36655000000D-01       .44818300000
            ****
            -Y     0
            S    3   1.00
                  5.1329580000          -1.3864845457
                  4.2401920000           1.9459581166
                  1.2982800000           0.44182603154
            S    1   1.00
                  0.82904954347          1.0000000
            S    1   1.00
                  0.34752758911          1.0000000
            S    1   1.00
                  0.68418878574D-01      1.0000000
            S    1   1.00
                  0.27323992904D-01      1.0000000
            P    4   1.00
                  2.7279200000          -0.37249884911871
                  1.9790500000           0.32572065995957
                  0.79980886805          0.50094655502482
                  0.38409397354          0.44385929492812
            P    1   1.00
                  0.16173582264          1.0000000
            P    1   1.00
                  0.69700000000D-01      1.0000000
            P    1   1.00
                  0.0300000              1.0000000
            D    4   1.00
                  3.9030833060          -0.0098209792625124
                  1.1363234302           0.19183629664092
                  0.45617043877          0.40597788538820
                  0.17470950748          0.43861485518224
            D    1   1.00
                  0.61978796638D-01      1.0000000
            F    1   1.00
                  0.2651500              1.0000000
            ****
            -Zr     0
            S    3   1.00
                  5.8737890000           0.54255558714
                  4.2872700000          -0.95241333244
                  1.4641370000          -0.13703926411
            S    1   1.00
                  0.83727682345           .88521584390
            S    1   1.00
                  0.36849806511          1.0000000
            S    1   1.00
                  0.77806859124D-01      1.0000000
            S    1   1.00
                  0.30273088330D-01      1.0000000
            P    4   1.00
                  2.8742240000          -0.46624086918
                  2.1199010000           0.45883133891
                  0.78845821105          0.58853912475
                  0.36332579847          0.35822232244
            P    1   1.00
                  0.14951762021          1.0000000
            P    1   1.00
                  0.67000000000D-01      1.0000000
            P    1   1.00
                  0.30000000000D-01      1.0000000
            D    4   1.00
                  4.2898623878          -0.12212868080D-01
                  1.3615557498           0.19692423520
                  0.56937550689          0.42057831659
                  0.22674948677          0.42757027999
            D    1   1.00
                  0.83011031631D-01      1.0000000
            F    1   1.00
                  0.3926100              1.0000000
            ****
            -Nb     0
            S    3   1.00
                  6.5663010000          -0.94917907866
                  4.5864380000           1.5736372883
                  3.7537700000           0.36380422981
            S    1   1.00
                  0.84187717437          1.0000000
            S    1   1.00
                  0.38160666177          1.0000000
            S    1   1.00
                  0.85819911368D-01      1.0000000
            S    1   1.00
                  0.32702330370D-01      1.0000000
            P    4   1.00
                  3.0700630000          -0.51025115881
                  2.2379640000           0.53570598017
                  0.80801969671          0.63102216351
                  0.35783343432          0.30205908942
            P    1   1.00
                  0.13820085283          1.0000000
            P    1   1.00
                  0.70500000000D-01      1.0000000
            P    1   1.00
                  0.0360000              1.0000000
            D    4   1.00
                  4.6170975867          -0.13574476955D-01
                  1.5663438480           0.20374310496
                  0.66952425826          0.42997453105
                  0.27140946867          0.4179975484761
            D    1   1.00
                  0.10054426592          1.0000000
            F    1   1.00
                  0.5227000              1.0000000
            ****
            -Mo     0
            S    3   1.00
                  7.2033800000          -0.89310617237
                  5.0522950000           1.6074095756
                  2.9135330000           0.27804186088
            S    1   1.00
                  0.97858218681          1.0000000
            S    1   1.00
                  0.44369153753          1.0000000
            S    1   1.00
                  0.92150090705D-01      1.0000000
            S    1   1.00
                  0.34802246935D-01      1.0000000
            P    4   1.00
                  3.1518660000          -0.71873040872
                  2.4534820000           0.76442887870
                  0.85030192180          0.64808585640
                  0.36918237179          0.26792115234
            P    1   1.00
                  0.13490627460          1.0000000
            P    1   1.00
                  0.71800000000D-01      1.0000000
            P    1   1.00
                  0.38200000000D-01      1.0000000
            D    4   1.00
                  5.0044445497          -0.21587364862D-01
                  1.7736823324           0.20958680086
                  0.76950591696          0.43730880599
                  0.31530878939          0.41123927009
            D    1   1.00
                  0.11754374390          1.0000000
            F    1   1.00
                  0.6554500              1.0000000
            ****
            -Tc     0
            S    3   1.00
                  7.4344020000          -1.1436289973
                  5.5513270000           1.8752000559
                  3.0230860000           0.23952854431
            S    1   1.00
                  1.0647443990           1.0000000
            S    1   1.00
                  0.48127808497          1.0000000
            S    1   1.00
                  0.98299016952D-01      1.0000000
            S    1   1.00
                  0.36659977936D-01      1.0000000
            P    4   1.00
                  3.4490050000          -0.72277510434
                  2.6927370000           0.76458962802
                  0.94427370692          0.64533225171
                  0.41348148619          0.27195668811
            P    1   1.00
                  0.15488152305          1.0000000
            P    1   1.00
                  0.79000000000D-01      1.0000000
            P    1   1.00
                  0.40300000000D-01      1.0000000
            D    4   1.00
                  5.0906268699          -0.32176405405D-01
                  2.0156178510           0.21280802536
                  0.88113887240          0.44403309175
                  0.36427094833          0.40796933085
            D    1   1.00
                  0.13678402297          1.0000000
            F    1   1.00
                  0.7908500              1.0000000
            ****
            -Ru     0
            S    3   1.00
                  7.9365700000          -1.1772083350
                  5.9842450000           1.6197059592
                  4.8822200000           0.51065807556
            S    1   1.00
                  1.1031002163           1.0000000
            S    1   1.00
                  0.49818875261          1.0000000
            S    1   1.00
                  0.10678711393          1.0000000
            S    1   1.00
                  0.39191775872D-01      1.0000000
            P    4   1.00
                  3.7546090000          -0.70777873563
                  2.9165710000           0.74954391484
                  1.0322209568           0.64660609645
                  0.45249553774          0.27029086816
            P    1   1.00
                  0.16987042198          1.0000000
            P    1   1.00
                  0.85500000000D-01      1.0000000
            P    1   1.00
                  0.43000000000D-01      1.0000000
            D    4   1.00
                  5.7341846619          -0.35266111560D-01
                  2.2483686294           0.21802502222
                  0.98376978359          0.44709565013
                  0.40379445583          0.40371732508
            D    1   1.00
                  0.14978618173          1.0000000
            F    1   1.00
                  0.9431400              1.0000000
            ****
            -Rh     0
            S    3   1.00
                  7.9177440000           0.14014042010165D+01
                  6.8412070000          -0.17975072656312D+01
                  2.9598400000          -0.16225754496571
            S    1   1.00
                  1.3166643441            .87495110714057
            S    1   1.00
                  0.56907152172          1.0000000
            S    1   1.00
                  0.10059695193          1.0000000
            S    1   1.00
                  0.37071460798D-01      1.0000000
            P    4   1.00
                  4.1360790000          -0.55183328017626
                  2.9462810000           0.61370533515352
                  1.0792431924           0.64005434538256
                  0.46611217769          0.25958050755066
            P    1   1.00
                  0.17453169991          1.0000000
            P    1   1.00
                  0.84600000000D-01      1.0000000
            P    1   1.00
                  0.0410000              1.0000000
            D    4   1.00
                  6.8847131641          -0.15962387984517D-01
                  2.3837304391           0.23047555828858
                  1.0184384022           0.44075804027937
                  0.39957494644          0.39567661995894
            D    1   1.00
                  0.13951120264          1.0000000
            F    1   1.00
                  1.0949900              1.0000000
            ****
            -Pd     0
            S    3   1.00
                  8.4756400000           1.2392391076
                  7.1657170000          -1.6563109970
                  3.1821100000          -0.13178619060
            S    1   1.00
                  1.3973644196           1.0000000
            S    1   1.00
                  0.60532955868          1.0000000
            S    1   1.00
                  0.10229514209          1.0000000
            S    1   1.00
                  0.37338972881D-01      1.0000000
            P    4   1.00
                  4.2460970000          -0.82324104973
                  3.3925940000           0.87084659933
                  1.1975891264           0.63512225791
                  0.52673750585          0.27225338752
            P    1   1.00
                  0.20607094098          1.0000000
            P    1   1.00
                  0.87300000000D-01      1.0000000
            P    1   1.00
                  0.37000000000D-01      1.0000000
            D    4   1.00
                  7.3613290985          -0.17199885828D-01
                  2.6291037258           0.23313745275
                  1.1292744634           0.44536385867
                  0.44471659896          0.39293650406
            D    1   1.00
                  0.15544893836          1.0000000
            F    1   1.00
                  1.2462900              1.0000000
            ****
            -Ag     0
            S    3   1.00
                  9.0884420000          -1.9808918797
                  7.5407310000           2.7554513347
                  2.7940050000           0.22715408381
            S    1   1.00
                  1.4918135849           1.0000000
            S    1   1.00
                  0.63579159445          1.0000000
            S    1   1.00
                  0.10368414161          1.0000000
            S    1   1.00
                  0.37460004363D-01      1.0000000
            P    4   1.00
                  4.4512400000          -0.99352103771
                  3.6752630000           1.0500525237
                  1.2610620905           0.64747532537
                  0.54212477498          0.25621550723
            P    1   1.00
                  0.20221617026          1.0000000
            P    1   1.00
                  0.91300000000D-01      1.0000000
            P    1   1.00
                  0.0412000              1.0000000
            D    4   1.00
                  7.7956672292          -0.17042912377D-01
                  2.8926510238           0.23446154803
                  1.2474273203           0.44765877533
                  0.49313817671          0.39064954560
            D    1   1.00
                  0.17285032603          1.0000000
            F    1   1.00
                  1.3971100              1.0000000
            ****
            -Cd     0
            S    3   1.00
                  9.7270110000          -1.7930075316
                  7.8375230000           2.6110318971
                  5.0891940000           0.10748428949
            S    1   1.00
                  1.4981738327           1.0000000
            S    1   1.00
                  0.67281383129          1.0000000
            S    1   1.00
                  0.13297424875          1.0000000
            S    1   1.00
                  0.46915090488D-01      1.0000000
            P    4   1.00
                  4.7427160000          -1.0411923051
                  3.9366550000           1.1003682332
                  1.3569243142           0.65366639411
                  0.58791569541          0.24632369113
            P    1   1.00
                  0.21371239619          1.0000000
            P    1   1.00
                  0.10500000000          1.0000000
            P    1   1.00
                  0.0516000              1.0000000
            D    4   1.00
                  7.8631040859          -0.21376239365D-01
                  3.2935059133           0.22596399568
                  1.4503676025           0.45294402972
                  0.59373316766          0.39218971958231D+00
            D    1   1.00
                  0.21760141520          1.0000000
            F    1   1.00
                  1.5981300              1.0000000
            ****
            -In     0
            S    6   1.00
                283.52297445             0.70132141424D-03
                 23.324282101           -0.90887432418D-01
                 16.868026844            0.28096825177
                  6.7866498137          -0.70697832452
                  1.6782596016           0.98671644913
                  0.78396870439          0.62568576302
            S    2   1.00
                  1.8276654775          -0.34151640249
                  0.83753492534         -0.59696724334
            S    1   1.00
                  0.16643068973          1.0000000
            S    1   1.00
                  0.61143742809D-01      1.0000000
            S    1   1.00
                  0.25528481617D-01      1.0000000
            P    4   1.00
                 14.699191826            0.92248042349D-01
                  8.8709038051          -0.32437029300
                  1.1342905889           0.61162217018
                  0.52667652433          0.17609640386
            P    1   1.00
                  2.3284433667           1.0000000
            P    1   1.00
                  0.16859144934          1.0000000
            P    1   1.00
                  0.50070381081D-01      1.0000000
            D    5   1.00
                 31.378655926            0.54007004722D-02
                 18.290046326           -0.11208558948D-01
                  3.2551894590           0.30384519161
                  1.3874842584           0.54078109979
                  0.54248962672          0.38232680038
            D    1   1.00
                  0.18000000000          1.0000000
            D    1   1.00
                  0.41325112998D-01      1.0000000
            ****
            -Sn     0
            S    6   1.00
                375.95156177             0.15224884228D-02
                 23.661818008           -0.16776065030
                 19.946281315            0.33989090393
                  6.8240270454          -0.84441791529
                  1.8771488722           0.92646952846
                  0.82033199226          0.53091094490
            S    2   1.00
                 10.341549887           -0.90331119154D-02
                  1.3672524155           0.22980877714
            S    1   1.00
                  0.18314843823          1.0000000
            S    1   1.00
                  0.69547226146D-01      1.0000000
            S    1   1.00
                  0.34867474697D-01      1.0000000
            P    4   1.00
                 21.293597748            0.37103218279D-01
                  8.8171842499          -0.32351709661
                  1.2347028371           0.83846760898
                  0.57869142617          0.23294977050
            P    1   1.00
                  2.5084050284           1.0000000
            P    1   1.00
                  0.21298577719          1.0000000
            P    1   1.00
                  0.67364584657D-01      1.0000000
            D    5   1.00
                 39.693023177            0.39185734275D-02
                 20.852179275           -0.68210073667D-02
                  3.6907832774           0.27938420495
                  1.5849404530           0.52607409874
                  0.62772693365          0.36149465348
            D    1   1.00
                  0.20500000000          1.0000000
            D    1   1.00
                  0.54356625231D-01      1.0000000
            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
                  1.9052000235           0.92017581656
                  0.93007107773          0.46754079597
            S    2   1.00
                 10.584496987           -0.14845336778D-01
                  1.4680242769           0.35289492025
            S    1   1.00
                  0.21621190032          1.0000000
            S    1   1.00
                  0.83546307041D-01      1.0000000
            S    1   1.00
                  0.43729879440D-01      1.0000000
            P    4   1.00
                 15.926550950            0.13206950012
                 10.052739237           -0.41511149340
                  1.2682183726           0.74197972626
                  0.57196620929          0.15580772750
            P    1   1.00
                  2.6190751238           1.0000000
            P    1   1.00
                  0.25183282652          1.0000000
            P    1   1.00
                  0.83389127684D-01      1.0000000
            D    5   1.00
                 45.485063360            0.32556415807D-02
                 18.504059617           -0.54952972010D-02
                  3.9156032308           0.27988806353
                  1.7142196009           0.51273377761
                  0.69675478242          0.33288802736
            D    1   1.00
                  0.23060000000          1.0000000
            D    1   1.00
                  0.66830850850D-01      1.0000000
            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
                  2.0705998798           0.79192928400
                  0.97715185085          0.40558342540
            S    2   1.00
                 11.263563841           -0.15212984183D-01
                  1.6122696062           0.35202140517
            S    1   1.00
                  0.25095401705          1.0000000
            S    1   1.00
                  0.97478452576D-01      1.0000000
            S    1   1.00
                  0.38352170654D-01      1.0000000
            P    4   1.00
                 17.479502221            0.11517799182
                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
                  0.59239616258          0.15283299018
            P    1   1.00
                  2.7961737670           1.0000000
            P    1   1.00
                  0.29766401026          1.0000000
            P    1   1.00
                  0.96151090240D-01      1.0000000
            P    1   1.00
                  0.26339831052D-01      1.0000000
            D    5   1.00
                 50.821835991            0.33763474774D-02
                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
                  0.77069282849          0.32213541689
            D    1   1.00
                  0.25000000000          1.0000000
            D    1   1.00
                  0.66543837442D-01      1.0000000
            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
                 11.720547572           -0.16160234511D-01
                  1.7625986449           0.35271525193
            S    1   1.00
                  0.28697476318          1.0000000
            S    1   1.00
                  0.11227609607          1.0000000
            S    1   1.00
                  0.45123635492D-01      1.0000000
            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
                  3.0288656771           1.0000000
            P    1   1.00
                  0.34506591841          1.0000000
            P    1   1.00
                  0.11134513813          1.0000000
            P    1   1.00
                  0.29795507230D-01      1.0000000
            D    5   1.00
                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
                  0.87640281623          0.31232025297
            D    1   1.00
                  0.30900000000          1.0000000
            D    1   1.00
                  0.77987255180D-01      1.0000000
            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
                 18.048324490            0.57524870348
            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
                  2.6257211320           1.0000000
            S    1   1.00
                  1.2905042943           1.0000000
            S    1   1.00
                  0.36204185060          1.0000000
            S    1   1.00
                  0.14069888091          1.0000000
            S    1   1.00
                  0.50201095588D-01      1.0000000
            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
                  0.52321923128          1.0000000
            P    1   1.00
                  0.21945569800          1.0000000
            P    1   1.00
                  0.86158996836D-01      1.0000000
            P    1   1.00
                  0.23749464135D-01      1.0000000
            D    6   1.00
                135.60300038             0.81873543290D-03
                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
                  1.2938205124           0.36029482992
            D    1   1.00
                  0.58050830139          1.0000000
            D    1   1.00
                  0.18000000000          1.0000000
            D    1   1.00
                  0.68002755933D-01      1.0000000
            F    1   1.00
                  2.5000000              1.0000000
            F    1   1.00
                  0.49652793             1.0000000
            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
                  0.37485237136          1.0000000
            S    1   1.00
                  0.16384858778          1.0000000
            S    1   1.00
                  0.27230462048D-01      1.0000000
            S    1   1.00
                  0.11991533212D-01      1.0000000
            P    4   1.00
                  4.2751856154           0.45723074174D-01
                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
                  0.91450850296D-01      1.0000000
            P    1   1.00
                  0.17592078473D-01      1.0000000
            P    1   1.00
                  0.33986441258D-02      1.0000000
            D    1   1.00
                  0.1330000              1.0000000
            D    1   1.00
                  0.33216214821D-01      1.0000000
            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
                  0.27420073547          1.0000000
            S    1   1.00
                  0.40933264188D-01      1.0000000
            S    1   1.00
                  0.18060156423D-01      1.0000000
            P    4   1.00
                  2.9267420000           0.79815276764
                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
                  0.13221792446          1.0000000
            P    1   1.00
                  0.33039565349D-01      1.0000000
            P    1   1.00
                  0.14159090510D-01      1.0000000
            D    4   1.00
                  0.9663150             -0.9089380
                  0.8938280              0.9472400
                  0.2731950              0.3220570
                  0.1038910              0.4732600
            D    1   1.00
                  0.0355780              0.365977
            F    4   1.00
                 10.00                   0.073
                  3.20                   0.210
                  1.00                   0.350
                  0.32                   0.360
            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
                  0.48954926461          1.0000000
            S    1   1.00
                  0.23292032550          1.0000000
            S    1   1.00
                  0.55595529876D-01      1.0000000
            S    1   1.00
                  0.22795184937D-01      1.0000000
            P    4   1.00
                  3.0251610000          -0.28580266654872D+00
                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
                  0.32519427171         -0.58864843929619D+00
            P    1   1.00
                  0.13635489374          1.0000000
            P    1   1.00
                  0.58500000000D-01      1.0000000
            P    1   1.00
                  0.0251000              1.0000000
            D    4   1.00
                  1.2667182018          -0.17445579381106D+00
                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
                  0.13398788830          0.44878277154181D+00
            D    1   1.00
                  0.51275503081D-01      1.0000000
            F    1   1.00
                  0.2568300              1.0000000
            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
                  0.79665469409          1.0000000
            S    1   1.00
                  0.34234072894          1.0000000
            S    1   1.00
                  0.98109197714D-01      1.0000000
            S    1   1.00
                  0.36190984443D-01      1.0000000
            P    4   1.00
                  6.7265310000           0.65076205465872
                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
                  0.20258973792          1.0000000
            P    1   1.00
                  0.82500000000D-01      1.0000000
            P    1   1.00
                  0.0336000              1.0000000
            D    4   1.00
                  3.9820623229          -0.042446023944105
                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
                  0.73099858787D-01      1.0000000
            F    1   1.00
                  0.3154700              1.0000000
            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
                  0.39142776556D-01      1.0000000
            P    4   1.00
                  7.4188720000           0.26979695152
                  5.6984100000          -0.46968874449
                  1.1777211960           0.50905100155
                  0.54478533555          0.52298161137
            P    1   1.00
                  0.22309270117          1.0000000
            P    1   1.00
                  0.98100000000D-01      1.0000000
            P    1   1.00
                  0.0431000              1.0000000
            D    4   1.00
                  3.9738796278          -0.52799310714D-01
                  1.4528884813           0.18558319471
                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
                  0.87909318337D-01      1.0000000
            F    1   1.00
                  0.3738600              1.0000000
            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
            S    1   1.00
                  0.92785370307          1.0000000
            S    1   1.00
                  0.40334458241          1.0000000
            S    1   1.00
                  0.11585976646          1.0000000
            S    1   1.00
                  0.41800474073D-01      1.0000000
            P    4   1.00
                  7.2496570000           0.45857265530
                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
                  0.24106964301          1.0000000
            P    1   1.00
                  0.98600000000D-01      1.0000000
            P    1   1.00
                  0.0403000              1.0000000
            D    4   1.00
                  4.0131231332          -0.63416491808D-01
                  1.6237452450           0.18452733732
                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
                  0.10225296446          1.0000000
            F    1   1.00
                  0.4319900              1.0000000
            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
            S    1   1.00
                  0.43949851581D-01      1.0000000
            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
                  0.25922718696          1.0000000
            P    1   1.00
                  0.11190000000          1.0000000
            P    1   1.00
                  0.04200000000          1.0000000
            D    4   1.00
                  4.0616274916          -0.76667295205D-01
                  1.8487943286           0.18067495215
                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
                  0.11892742980          1.0000000
            F    1   1.00
                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
                  0.46783543749          1.0000000
            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
                  0.47101982911D-01      1.0000000
            P    4   1.00
                  7.9362790000           0.33899369659
                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
                  0.12830000000          1.0000000
            P    1   1.00
                  0.04800000000          1.0000000
            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
                  0.31306011113          1.0000000
            P    1   1.00
                  0.13100000000          1.0000000
            P    1   1.00
                  0.0548000              1.0000000
            D    4   1.00
                  3.6994850000          -0.54840155964653
                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
                  0.48989034059D-01      1.0000000
            P    4   1.00
                  8.1000000000           0.72955608128
                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
                  0.30270484669          1.0000000
            P    1   1.00
                  0.12300000000          1.0000000
            P    1   1.00
                  0.50000000000D-01      1.0000000
            D    4   1.00
                  4.6299536825          -0.87774450596D-01
                  2.1980241252           0.21158360681
                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
                  0.48876985527D-01      1.0000000
            P    4   1.00
                  8.6096650000           0.50053018599
                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
                  0.32384840661          1.0000000
            P    1   1.00
                  0.13220000000          1.0000000
            P    1   1.00
                  0.0540000              1.0000000
            D    4   1.00
                  4.1439490000          -0.37099566643
                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
                  0.16490636769          1.0000000
            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
                  9.7729900000           0.21210940502
                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
                  0.34494917659          1.0000000
            P    1   1.00
                  0.15540000000          1.0000000
            P    1   1.00
                  0.07000000000          1.0000000
            D    4   1.00
                  4.2800000000          -0.32033414305491
                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
                  0.18501599388          1.0000000
            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/30_ibuprofen/Gau-29851.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/30_ibuprofen/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     29862.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                27-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=30_ibuprofen_conformer04_B3LYPDBJ-def2SVPDr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Sep 27 09:40:15 2021, MaxMem=  6442450944 cpu:               2.4 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "30_ibuprofen_conformer04_B3LYPDBJ-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.634600000000     -0.289354000000     -1.230513000000
  C                                                 1.477234000000     -0.735999000000     -0.213732000000
  C                                                -0.739449000000     -0.216152000000     -1.047711000000
  C                                                -1.314029000000     -0.589385000000      0.165609000000
  C                                                -0.477653000000     -1.033716000000      1.186048000000
  C                                                 0.895358000000     -1.109311000000      0.997103000000
  C                                                 2.970726000000     -0.778602000000     -0.392123000000
  C                                                 3.716610000000      0.371103000000      0.313667000000
  C                                                 3.299110000000      1.735765000000     -0.230808000000
  C                                                 5.226988000000      0.171727000000      0.198605000000
  C                                                -2.819930000000     -0.538917000000      0.366414000000
  C                                                -3.298609000000      0.879642000000      0.123443000000
  O                                                -3.719796000000      1.311520000000     -0.918273000000
  O                                                -3.170806000000      1.648102000000      1.229132000000
  H                                                 1.061897000000      0.009379000000     -2.180173000000
  H                                                -1.369308000000      0.143045000000     -1.851768000000
  H                                                -0.905706000000     -1.326876000000      2.137119000000
  H                                                 1.525155000000     -1.464620000000      1.804458000000
  H                                                 3.213870000000     -0.750950000000     -1.458443000000
  H                                                 3.354890000000     -1.727657000000     -0.007445000000
  H                                                 3.446407000000      0.332999000000      1.374915000000
  H                                                 2.227360000000      1.901968000000     -0.119193000000
  H                                                 3.541664000000      1.816780000000     -1.294470000000
  H                                                 3.822320000000      2.539192000000      0.291263000000
  H                                                 5.541448000000      0.194608000000     -0.848580000000
  H                                                 5.535582000000     -0.788131000000      0.618372000000
  H                                                 5.769492000000      0.959785000000      0.724559000000
  H                                                -3.021671000000     -0.770261000000      1.413061000000
  C                                                -3.561205000000     -1.527762000000     -0.535197000000
  H                                                -3.444471000000      2.545855000000      0.983186000000
  H                                                -4.634564000000     -1.503266000000     -0.342117000000
  H                                                -3.194719000000     -2.537711000000     -0.351766000000
  H                                                -3.403343000000     -1.285337000000     -1.584678000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     33 NQM=       33 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          16          16           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           0           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000

  Atom        31          32          33
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Mon Sep 27 09:40:16 2021, MaxMem=  6442450944 cpu:               1.6 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.634600   -0.289354   -1.230513
      2          6           0        1.477234   -0.735999   -0.213732
      3          6           0       -0.739449   -0.216152   -1.047711
      4          6           0       -1.314029   -0.589385    0.165609
      5          6           0       -0.477653   -1.033716    1.186048
      6          6           0        0.895358   -1.109311    0.997103
      7          6           0        2.970726   -0.778602   -0.392123
      8          6           0        3.716610    0.371103    0.313667
      9          6           0        3.299110    1.735765   -0.230808
     10          6           0        5.226988    0.171727    0.198605
     11          6           0       -2.819930   -0.538917    0.366414
     12          6           0       -3.298609    0.879642    0.123443
     13          8           0       -3.719796    1.311520   -0.918273
     14          8           0       -3.170806    1.648102    1.229132
     15          1           0        1.061897    0.009379   -2.180173
     16          1           0       -1.369308    0.143045   -1.851768
     17          1           0       -0.905706   -1.326876    2.137119
     18          1           0        1.525155   -1.464620    1.804458
     19          1           0        3.213870   -0.750950   -1.458443
     20          1           0        3.354890   -1.727657   -0.007445
     21          1           0        3.446407    0.332999    1.374915
     22          1           0        2.227360    1.901968   -0.119193
     23          1           0        3.541664    1.816780   -1.294470
     24          1           0        3.822320    2.539192    0.291263
     25          1           0        5.541448    0.194608   -0.848580
     26          1           0        5.535582   -0.788131    0.618372
     27          1           0        5.769492    0.959785    0.724559
     28          1           0       -3.021671   -0.770261    1.413061
     29          6           0       -3.561205   -1.527762   -0.535197
     30          1           0       -3.444471    2.545855    0.983186
     31          1           0       -4.634564   -1.503266   -0.342117
     32          1           0       -3.194719   -2.537711   -0.351766
     33          1           0       -3.403343   -1.285337   -1.584678
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.394047   0.000000
     3  C    1.388087   2.424757   0.000000
     4  C    2.415850   2.820735   1.393410   0.000000
     5  C    2.762417   2.422726   2.393037   1.392211   0.000000
     6  C    2.388011   1.394297   2.766151   2.417250   1.388011
     7  C    2.529772   1.504712   3.809402   4.325043   3.800924
     8  C    3.509912   2.553161   4.696241   5.123650   4.508482
     9  C    3.492869   3.070691   4.559306   5.181170   4.893000
    10  C    4.831667   3.880031   6.107546   6.585232   5.913634
    11  C    3.813953   4.340625   2.536203   1.520068   2.530393
    12  C    4.320866   5.052985   3.020210   2.469489   3.570415
    13  O    4.649845   5.630083   3.351567   3.252069   4.521039
    14  O    4.927951   5.419416   3.817192   3.095973   3.800931
    15  H    1.083364   2.143591   2.139669   3.392084   3.845739
    16  H    2.142096   3.399806   1.082706   2.146933   3.377594
    17  H    3.845769   3.399123   3.377054   2.144172   1.083378
    18  H    3.374224   2.146224   3.849931   3.393056   2.139941
    19  H    2.630144   2.136688   4.010417   4.813057   4.549795
    20  H    3.311282   2.133432   4.486693   4.808785   4.073618
    21  H    3.883534   2.746670   4.867450   4.997496   4.159547
    22  H    2.928107   2.744175   3.761720   4.339284   4.199880
    23  H    3.590392   3.456378   4.745696   5.612416   5.516630
    24  H    4.525266   4.059720   5.494953   6.015469   5.661809
    25  H    4.945427   4.217451   6.297463   6.974295   6.471327
    26  H    5.261823   4.143103   6.517592   6.867435   6.044962
    27  H    5.634693   4.709517   6.847633   7.272456   6.573723
    28  H    4.537408   4.784117   3.401613   2.122474   2.567678
    29  C    4.429661   5.110391   3.153617   2.534064   3.565818
    30  H    5.438538   6.035425   4.366963   3.877750   4.653653
    31  H    5.479682   6.161108   4.162505   3.481223   4.453726
    32  H    4.526697   5.009228   3.449975   2.756927   3.465447
    33  H    4.174015   5.099147   2.920243   2.813021   4.037313
                    6          7          8          9         10
     6  C    0.000000
     7  C    2.519220   0.000000
     8  C    3.258554   1.541527   0.000000
     9  C    3.921766   2.540846   1.527436   0.000000
    10  C    4.587121   2.518492   1.527819   2.519390   0.000000
    11  C    3.811362   5.845043   6.599793   6.555418   8.079979
    12  C    4.723195   6.505393   7.036199   6.662457   8.555267
    13  O    5.552363   7.029120   7.596196   7.065241   9.087986
    14  O    4.918420   6.799689   7.064368   6.633168   8.588633
    15  H    3.372578   2.731605   3.660271   3.433010   4.799263
    16  H    3.848789   4.670749   5.532421   5.192147   6.907675
    17  H    2.142616   4.660944   5.251087   5.715534   6.604058
    18  H    1.083841   2.717584   3.224099   4.187086   4.354304
    19  H    3.396119   1.094039   2.156878   2.774546   2.765824
    20  H    2.727777   1.093739   2.153775   3.471065   2.674858
    21  H    2.954801   2.141110   1.095769   2.137240   2.140136
    22  H    3.476801   2.795092   2.179170   1.090289   3.477427
    23  H    4.562483   2.806458   2.169491   1.093971   2.788510
    24  H    4.730422   3.492848   2.170780   1.091697   2.754373
    25  H    5.166517   2.786414   2.170715   2.790141   1.093620
    26  H    4.666720   2.756751   2.178377   3.477494   1.092136
    27  H    5.302134   3.478801   2.174788   2.760011   1.091775
    28  H    3.953618   6.258401   6.922125   6.995337   8.390627
    29  C    4.731173   6.576308   7.569204   7.603104   8.981039
    30  H    5.674024   7.355151   7.513913   6.899704   9.024758
    31  H    5.703398   7.639900   8.584021   8.570116  10.017394
    32  H    4.537456   6.411615   7.527979   7.774770   8.863922
    33  H    5.017510   6.504439   7.552565   7.475486   8.932287
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.516733   0.000000
    13  O    2.425757   1.203781   0.000000
    14  O    2.377067   1.352558   2.241880   0.000000
    15  H    4.674860   5.007796   5.113956   5.676667   0.000000
    16  H    2.736733   2.857663   2.785954   3.873311   2.456924
    17  H    2.724065   3.827479   4.920941   3.847806   4.929102
    18  H    4.669546   5.620505   6.529145   5.663222   4.273706
    19  H    6.307282   6.897360   7.254053   7.330934   2.393738
    20  H    6.299308   7.147320   7.753540   7.450475   3.604977
    21  H    6.406582   6.881878   7.587535   6.748204   4.292932
    22  H    5.627510   5.624976   6.029579   5.569796   3.031144
    23  H    6.984105   7.048265   7.288732   7.173163   3.193808
    24  H    7.321194   7.313679   7.736515   7.111783   4.486411
    25  H    8.480973   8.919681   9.328611   9.073748   4.676946
    26  H    8.363024   9.003852   9.614148   9.061427   5.336828
    27  H    8.726543   9.088356   9.636867   8.980941   5.612681
    28  H    1.090729   2.112342   3.202547   2.429928   5.494970
    29  C    1.529773   2.509653   2.869394   3.653954   5.142161
    30  H    3.207223   1.880611   2.283623   0.970228   6.062005
    31  H    2.173679   2.771240   3.015257   3.813467   6.173833
    32  H    2.156717   3.451799   3.925967   4.474465   5.286731
    33  H    2.168934   2.759670   2.699612   4.071445   4.687139
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.276308   0.000000
    18  H    4.932595   2.457381   0.000000
    19  H    4.686091   5.498242   3.742674   0.000000
    20  H    5.405469   4.786696   2.588457   1.754776   0.000000
    21  H    5.799886   4.719855   2.665924   3.042521   2.483062
    22  H    4.362528   5.033138   3.940487   3.131256   3.802366
    23  H    5.218200   6.437195   4.943405   2.593757   3.775494
    24  H    6.106317   6.380274   4.857699   3.775807   4.302757
    25  H    6.983380   7.266024   5.091391   2.585272   3.030453
    26  H    7.392306   6.639806   4.236504   3.115267   2.455560
    27  H    7.633282   7.196000   5.005828   3.771381   3.686255
    28  H    3.771411   2.304645   4.616162   6.864975   6.602649
    29  C    3.054401   3.772705   5.599020   6.881676   6.939081
    30  H    4.256379   4.772309   6.438601   7.820740   8.091697
    31  H    3.956170   4.481306   6.523145   7.963045   7.999608
    32  H    3.573316   3.591692   5.298871   6.744424   6.608489
    33  H    2.499782   4.482375   5.984019   6.639956   6.953921
                   21         22         23         24         25
    21  H    0.000000
    22  H    2.485980   0.000000
    23  H    3.055535   1.765199   0.000000
    24  H    2.486544   1.765907   1.764992   0.000000
    25  H    3.058150   3.798719   2.613311   3.122774   0.000000
    26  H    2.488763   4.327236   3.797398   3.756773   1.765718
    27  H    2.492498   3.761160   3.126361   2.544357   1.764162
    28  H    6.561606   6.086127   7.556512   7.684473   8.909153
    29  C    7.497839   6.741186   7.887535   8.469923   9.269469
    30  H    7.248061   5.813733   7.384128   7.299661   9.467337
    31  H    8.462988   7.663636   8.875832   9.394760  10.329109
    32  H    7.438209   7.011689   8.076456   8.684887   9.166952
    33  H    7.635265   6.634107   7.611864   8.387871   9.096228
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.766692   0.000000
    28  H    8.594093   8.986192   0.000000
    29  C    9.199419   9.738418   2.158846   0.000000
    30  H    9.585922   9.353054   3.370486   4.348962   0.000000
    31  H   10.240402  10.744710   2.493866   1.090862   4.423588
    32  H    8.956582   9.682357   2.503685   1.089934   5.261855
    33  H    9.219817   9.721834   3.065520   1.088623   4.612337
                   31         32         33
    31  H    0.000000
    32  H    1.772942   0.000000
    33  H    1.762769   1.769756   0.000000
 Stoichiometry    C13H18O2
 Framework group  C1[X(C13H18O2)]
 Deg. of freedom    93
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 0.00D+00
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.634600   -0.289354   -1.230513
      2          6           0        1.477234   -0.735999   -0.213732
      3          6           0       -0.739449   -0.216152   -1.047711
      4          6           0       -1.314029   -0.589385    0.165609
      5          6           0       -0.477653   -1.033716    1.186048
      6          6           0        0.895358   -1.109311    0.997103
      7          6           0        2.970726   -0.778602   -0.392123
      8          6           0        3.716610    0.371103    0.313667
      9          6           0        3.299110    1.735765   -0.230808
     10          6           0        5.226988    0.171727    0.198605
     11          6           0       -2.819930   -0.538917    0.366414
     12          6           0       -3.298609    0.879642    0.123443
     13          8           0       -3.719796    1.311520   -0.918273
     14          8           0       -3.170806    1.648102    1.229132
     15          1           0        1.061897    0.009379   -2.180173
     16          1           0       -1.369308    0.143045   -1.851768
     17          1           0       -0.905706   -1.326876    2.137119
     18          1           0        1.525155   -1.464620    1.804458
     19          1           0        3.213870   -0.750950   -1.458443
     20          1           0        3.354890   -1.727657   -0.007445
     21          1           0        3.446407    0.332999    1.374915
     22          1           0        2.227360    1.901968   -0.119193
     23          1           0        3.541664    1.816780   -1.294470
     24          1           0        3.822320    2.539192    0.291263
     25          1           0        5.541448    0.194608   -0.848580
     26          1           0        5.535582   -0.788131    0.618372
     27          1           0        5.769492    0.959785    0.724559
     28          1           0       -3.021671   -0.770261    1.413061
     29          6           0       -3.561205   -1.527762   -0.535197
     30          1           0       -3.444471    2.545855    0.983186
     31          1           0       -4.634564   -1.503266   -0.342117
     32          1           0       -3.194719   -2.537711   -0.351766
     33          1           0       -3.403343   -1.285337   -1.584678
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.3505362           0.2618989           0.2490697
 Leave Link  202 at Mon Sep 27 09:40:17 2021, MaxMem=  6442450944 cpu:               0.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     30     31     32     33
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     29
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      13     14
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   480 symmetry adapted cartesian basis functions of A   symmetry.
 There are   450 symmetry adapted basis functions of A   symmetry.
   450 basis functions,   666 primitive gaussians,   480 cartesian basis functions
    56 alpha electrons       56 beta electrons
       nuclear repulsion energy       973.0890188818 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   33 NActive=   33 NUniq=   33 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0618331451 Hartrees.
 Nuclear repulsion after empirical dispersion term =      973.0271857367 Hartrees.
 Leave Link  301 at Mon Sep 27 09:40:19 2021, MaxMem=  6442450944 cpu:               7.7 elap:               1.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   450 RedAO= T EigKep=  4.04D-06  NBF=   450
 NBsUse=   450 1.00D-06 EigRej= -1.00D+00 NBFU=   450
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   478   478   478   478   478 MxSgAt=    33 MxSgA2=    33.
 Leave Link  302 at Mon Sep 27 09:40:21 2021, MaxMem=  6442450944 cpu:              10.1 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Sep 27 09:40:22 2021, MaxMem=  6442450944 cpu:               1.2 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "30_ibuprofen_conformer04_B3LYPDBJ-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Sep 27 09:40:26 2021, MaxMem=  6442450944 cpu:              17.3 elap:               2.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6441981585 LenY=  6441750705
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 920000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -656.327600832745    
 DIIS: error= 3.08D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -656.327600832745     IErMin= 1 ErrMin= 3.08D-03
 ErrMax= 3.08D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.15D-02 BMatP= 1.15D-02
 IDIUse=3 WtCom= 9.69D-01 WtEn= 3.08D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.223 Goal=   None    Shift=    0.000
 GapD=    0.223 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.70D-02 MaxDP=7.31D-01              OVMax= 1.63D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.11D-02    CP:  1.37D+00
 E= -656.337490245930     Delta-E=       -0.009889413185 Rises=F Damp=F
 DIIS: error= 5.80D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -656.337490245930     IErMin= 2 ErrMin= 5.80D-04
 ErrMax= 5.80D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.82D-04 BMatP= 1.15D-02
 IDIUse=3 WtCom= 9.94D-01 WtEn= 5.80D-03
 Coeff-Com:  0.362D-01 0.964D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.360D-01 0.964D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=8.66D-04 MaxDP=4.41D-02 DE=-9.89D-03 OVMax= 7.18D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.80D-04    CP:  1.39D+00  1.04D+00
 E= -656.337342981878     Delta-E=        0.000147264052 Rises=F Damp=F
 DIIS: error= 7.67D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -656.337490245930     IErMin= 2 ErrMin= 5.80D-04
 ErrMax= 7.67D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.39D-04 BMatP= 3.82D-04
 IDIUse=3 WtCom= 2.65D-01 WtEn= 7.35D-01
 Coeff-Com: -0.135D-01 0.570D+00 0.444D+00
 Coeff-En:   0.000D+00 0.586D+00 0.414D+00
 Coeff:     -0.357D-02 0.582D+00 0.422D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=1.13D-04 MaxDP=5.24D-03 DE= 1.47D-04 OVMax= 3.94D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  6.95D-05    CP:  1.39D+00  1.04D+00  7.45D-01
 E= -656.337810408761     Delta-E=       -0.000467426883 Rises=F Damp=F
 DIIS: error= 1.45D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -656.337810408761     IErMin= 4 ErrMin= 1.45D-04
 ErrMax= 1.45D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.05D-05 BMatP= 3.82D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.45D-03
 Coeff-Com: -0.848D-02 0.269D+00 0.215D+00 0.524D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.847D-02 0.269D+00 0.215D+00 0.524D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=3.41D-05 MaxDP=1.66D-03 DE=-4.67D-04 OVMax= 8.44D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.30D-05    CP:  1.39D+00  1.04D+00  6.91D-01  9.96D-01
 E= -656.337818589852     Delta-E=       -0.000008181091 Rises=F Damp=F
 DIIS: error= 4.02D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -656.337818589852     IErMin= 5 ErrMin= 4.02D-05
 ErrMax= 4.02D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.67D-06 BMatP= 1.05D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.290D-02 0.682D-01 0.556D-01 0.290D+00 0.589D+00
 Coeff:     -0.290D-02 0.682D-01 0.556D-01 0.290D+00 0.589D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=1.40D-05 MaxDP=7.19D-04 DE=-8.18D-06 OVMax= 5.89D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  8.09D-06    CP:  1.39D+00  1.04D+00  7.02D-01  9.77D-01  8.05D-01
 E= -656.337819514386     Delta-E=       -0.000000924534 Rises=F Damp=F
 DIIS: error= 2.40D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -656.337819514386     IErMin= 6 ErrMin= 2.40D-05
 ErrMax= 2.40D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.92D-07 BMatP= 1.67D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.656D-03 0.472D-02 0.438D-02 0.118D+00 0.418D+00 0.456D+00
 Coeff:     -0.656D-03 0.472D-02 0.438D-02 0.118D+00 0.418D+00 0.456D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=4.57D-06 MaxDP=1.64D-04 DE=-9.25D-07 OVMax= 2.40D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.35D-06    CP:  1.39D+00  1.04D+00  7.04D-01  9.73D-01  8.10D-01
                    CP:  7.60D-01
 E= -656.337819984801     Delta-E=       -0.000000470415 Rises=F Damp=F
 DIIS: error= 2.00D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -656.337819984801     IErMin= 7 ErrMin= 2.00D-06
 ErrMax= 2.00D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.36D-09 BMatP= 5.92D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.119D-03-0.142D-02-0.946D-03 0.310D-01 0.137D+00 0.181D+00
 Coeff-Com:  0.654D+00
 Coeff:     -0.119D-03-0.142D-02-0.946D-03 0.310D-01 0.137D+00 0.181D+00
 Coeff:      0.654D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=1.34D-06 MaxDP=6.24D-05 DE=-4.70D-07 OVMax= 1.96D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.08D-06    CP:  1.39D+00  1.04D+00  7.03D-01  9.79D-01  8.21D-01
                    CP:  7.38D-01  8.51D-01
 E= -656.337819990031     Delta-E=       -0.000000005230 Rises=F Damp=F
 DIIS: error= 9.12D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -656.337819990031     IErMin= 8 ErrMin= 9.12D-07
 ErrMax= 9.12D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.02D-09 BMatP= 6.36D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.932D-05-0.106D-02-0.807D-03 0.606D-02 0.366D-01 0.542D-01
 Coeff-Com:  0.335D+00 0.570D+00
 Coeff:     -0.932D-05-0.106D-02-0.807D-03 0.606D-02 0.366D-01 0.542D-01
 Coeff:      0.335D+00 0.570D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=3.90D-07 MaxDP=1.42D-05 DE=-5.23D-09 OVMax= 1.18D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.61D-07    CP:  1.39D+00  1.04D+00  7.04D-01  9.79D-01  8.19D-01
                    CP:  7.43D-01  8.39D-01  7.90D-01
 E= -656.337819990897     Delta-E=       -0.000000000865 Rises=F Damp=F
 DIIS: error= 2.51D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -656.337819990897     IErMin= 9 ErrMin= 2.51D-07
 ErrMax= 2.51D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.17D-10 BMatP= 1.02D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.645D-05-0.415D-03-0.324D-03 0.252D-04 0.602D-02 0.103D-01
 Coeff-Com:  0.116D+00 0.309D+00 0.560D+00
 Coeff:      0.645D-05-0.415D-03-0.324D-03 0.252D-04 0.602D-02 0.103D-01
 Coeff:      0.116D+00 0.309D+00 0.560D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=1.47D-07 MaxDP=6.48D-06 DE=-8.65D-10 OVMax= 5.00D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  9.22D-08    CP:  1.39D+00  1.04D+00  7.04D-01  9.79D-01  8.20D-01
                    CP:  7.44D-01  8.55D-01  7.79D-01  6.44D-01
 E= -656.337819991045     Delta-E=       -0.000000000149 Rises=F Damp=F
 DIIS: error= 1.03D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -656.337819991045     IErMin=10 ErrMin= 1.03D-07
 ErrMax= 1.03D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.37D-11 BMatP= 1.17D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.469D-05-0.157D-03-0.123D-03-0.532D-03 0.504D-03 0.128D-02
 Coeff-Com:  0.399D-01 0.133D+00 0.326D+00 0.500D+00
 Coeff:      0.469D-05-0.157D-03-0.123D-03-0.532D-03 0.504D-03 0.128D-02
 Coeff:      0.399D-01 0.133D+00 0.326D+00 0.500D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=4.17D-08 MaxDP=1.74D-06 DE=-1.49D-10 OVMax= 1.87D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.79D-08    CP:  1.39D+00  1.04D+00  7.04D-01  9.79D-01  8.20D-01
                    CP:  7.44D-01  8.54D-01  7.79D-01  6.68D-01  6.84D-01
 E= -656.337819991069     Delta-E=       -0.000000000024 Rises=F Damp=F
 DIIS: error= 3.25D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -656.337819991069     IErMin=11 ErrMin= 3.25D-08
 ErrMax= 3.25D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.27D-12 BMatP= 1.37D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.166D-05-0.303D-04-0.232D-04-0.305D-03-0.462D-03-0.752D-03
 Coeff-Com:  0.652D-02 0.310D-01 0.104D+00 0.277D+00 0.584D+00
 Coeff:      0.166D-05-0.303D-04-0.232D-04-0.305D-03-0.462D-03-0.752D-03
 Coeff:      0.652D-02 0.310D-01 0.104D+00 0.277D+00 0.584D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=1.33D-08 MaxDP=5.28D-07 DE=-2.36D-11 OVMax= 5.01D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  8.49D-09    CP:  1.39D+00  1.04D+00  7.04D-01  9.79D-01  8.20D-01
                    CP:  7.44D-01  8.55D-01  7.82D-01  6.75D-01  7.06D-01
                    CP:  7.08D-01
 E= -656.337819991056     Delta-E=        0.000000000013 Rises=F Damp=F
 DIIS: error= 5.84D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -656.337819991069     IErMin=12 ErrMin= 5.84D-09
 ErrMax= 5.84D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.70D-14 BMatP= 1.27D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.348D-06-0.321D-06 0.590D-06-0.954D-04-0.223D-03-0.477D-03
 Coeff-Com: -0.456D-03 0.245D-02 0.189D-01 0.836D-01 0.276D+00 0.620D+00
 Coeff:      0.348D-06-0.321D-06 0.590D-06-0.954D-04-0.223D-03-0.477D-03
 Coeff:     -0.456D-03 0.245D-02 0.189D-01 0.836D-01 0.276D+00 0.620D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=3.66D-09 MaxDP=1.26D-07 DE= 1.27D-11 OVMax= 1.37D-07

 SCF Done:  E(RB3LYP) =  -656.337819991     A.U. after   12 cycles
            NFock= 12  Conv=0.37D-08     -V/T= 2.0112
 KE= 6.490928454433D+02 PE=-3.468780782524D+03 EE= 1.190322931353D+03
 Leave Link  502 at Mon Sep 27 09:47:53 2021, MaxMem=  6442450944 cpu:            3568.4 elap:             446.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   450
 NBasis=   450 NAE=    56 NBE=    56 NFC=     0 NFV=     0
 NROrb=    450 NOA=    56 NOB=    56 NVA=   394 NVB=   394

 **** Warning!!: The largest alpha MO coefficient is  0.59925078D+02

 Leave Link  801 at Mon Sep 27 09:47:54 2021, MaxMem=  6442450944 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10066 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          33
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 3.68D-13 8.33D-09 XBig12= 1.00D+00 5.49D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 3.68D-13 8.33D-09 XBig12= 3.52D-01 1.79D-01.
     11 vectors produced by pass  2 Test12= 3.68D-13 8.33D-09 XBig12= 8.73D-02 1.04D-01.
     11 vectors produced by pass  3 Test12= 3.68D-13 8.33D-09 XBig12= 1.01D-02 2.50D-02.
     11 vectors produced by pass  4 Test12= 3.68D-13 8.33D-09 XBig12= 2.89D-03 1.78D-02.
     11 vectors produced by pass  5 Test12= 3.68D-13 8.33D-09 XBig12= 1.49D-04 2.04D-03.
     11 vectors produced by pass  6 Test12= 3.68D-13 8.33D-09 XBig12= 8.21D-06 3.70D-04.
     11 vectors produced by pass  7 Test12= 3.68D-13 8.33D-09 XBig12= 2.10D-07 4.23D-05.
     11 vectors produced by pass  8 Test12= 3.68D-13 8.33D-09 XBig12= 5.63D-09 1.11D-05.
     11 vectors produced by pass  9 Test12= 3.68D-13 8.33D-09 XBig12= 1.07D-10 1.11D-06.
      8 vectors produced by pass 10 Test12= 3.68D-13 8.33D-09 XBig12= 2.33D-12 1.87D-07.
      3 vectors produced by pass 11 Test12= 3.68D-13 8.33D-09 XBig12= 4.43D-14 2.92D-08.
      1 vectors produced by pass 12 Test12= 3.68D-13 8.33D-09 XBig12= 2.55D-14 9.57D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 9.95D-14
 Solved reduced A of dimension   122 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.224030D+03
      2 -0.217040D+01  0.138302D+03
      3  0.198194D+01 -0.751934D+01  0.148922D+03
 Isotropic polarizability for W=    0.088559      170.42 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.246995D+03  0.383504D+02 -0.230629D+02
      2  -0.133642D+03 -0.193055D+02  0.420376D+02
      3  -0.113353D+03 -0.190449D+02 -0.189747D+02
      4  -0.385618D+02  0.686418D+02 -0.159493D+02
      5  -0.246335D+02 -0.218130D+02  0.707365D+02
      6  -0.803247D+00  0.239149D+02 -0.341970D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.837429D+01 -0.761750D+01  0.229248D+02
      2  -0.748879D-01 -0.715692D+01  0.339973D+02
      3  -0.106686D+03 -0.384072D+02  0.127236D+02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.586368D+01 -0.181227D+02  0.151521D+02
      2   0.157050D+01 -0.151461D+02  0.184089D+03
      3  -0.769122D+02 -0.202284D+03  0.210097D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.131744D+01 -0.145928D+00  0.132203D+02
      2  -0.145928D+00 -0.161185D+01 -0.117187D+01
      3   0.132203D+02 -0.117187D+01 -0.251317D+01
 OR G Eigenvalues:   -14.0067    -1.6147    12.8139  Iso=     0.9359
 Eigenvectors:
   (1)  -0.651539   0.063798   0.755928
   (2)   0.087722   0.996109  -0.008461
   (3)   0.753527  -0.060799   0.654600
 w=    0.088559 a.u., Optical Rotation Beta=      0.9359 au.
 Molar Mass =    206.2840 grams/mole, [Alpha] ( 5145.0 A) =      230.05 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  101475 ScalPx= 4.84D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  101475 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.58D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 6.13D-14 2.78D-09 XBig12= 1.00D+00 3.12D-01.
     30 vectors produced by pass  1 Test12= 6.13D-14 2.78D-09 XBig12= 6.38D-02 5.37D-02.
     30 vectors produced by pass  2 Test12= 6.13D-14 2.78D-09 XBig12= 1.98D-03 7.67D-03.
     30 vectors produced by pass  3 Test12= 6.13D-14 2.78D-09 XBig12= 4.27D-05 9.76D-04.
     30 vectors produced by pass  4 Test12= 6.13D-14 2.78D-09 XBig12= 5.63D-07 1.04D-04.
     30 vectors produced by pass  5 Test12= 6.13D-14 2.78D-09 XBig12= 5.44D-09 7.61D-06.
     30 vectors produced by pass  6 Test12= 6.13D-14 2.78D-09 XBig12= 4.63D-11 4.56D-07.
     30 vectors produced by pass  7 Test12= 6.13D-14 2.78D-09 XBig12= 2.27D-13 4.09D-08.
      1 vectors produced by pass  8 Test12= 6.13D-14 2.78D-09 XBig12= 9.64D-16 2.85D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   241 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  101475 ScalPx= 1.78D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  101475 ScalPx= 1.78D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  101475 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.45D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.224030D+03 -0.217040D+01  0.198194D+01
      2  -0.217040D+01  0.138302D+03 -0.751934D+01
      3   0.198194D+01 -0.751934D+01  0.148922D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.837429D+01 -0.761750D+01  0.229248D+02
      2  -0.748879D-01 -0.715692D+01  0.339973D+02
      3  -0.106686D+03 -0.384072D+02  0.127236D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.246995D+03  0.383504D+02 -0.230629D+02
      2  -0.133642D+03 -0.193055D+02  0.420376D+02
      3  -0.113353D+03 -0.190449D+02 -0.189747D+02
      4  -0.385618D+02  0.686418D+02 -0.159493D+02
      5  -0.246335D+02 -0.218130D+02  0.707365D+02
      6  -0.803247D+00  0.239149D+02 -0.341970D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.141602D+02 -0.112403D-01  0.739995D+00  0.648668D+01  0.223078D+01
      2  -0.112403D-01  0.995448D+00  0.248041D-02  0.223078D+01  0.195879D+01
      3   0.739995D+00  0.248041D-02  0.110261D+01 -0.953518D-01 -0.270960D+01
                 6             7             8             9            10 
      1  -0.953518D-01 -0.111892D+02  0.369408D+00 -0.453030D+00  0.344002D+02
      2  -0.270960D+01  0.369408D+00 -0.120482D+01 -0.109613D+01  0.148193D+01
      3  -0.234119D+01 -0.453030D+00 -0.109613D+01 -0.172710D+01 -0.113024D+01
                11            12            13            14            15 
      1   0.148193D+01 -0.113024D+01 -0.607646D+00  0.453345D+01  0.120098D+01
      2   0.188927D+01 -0.751049D+00  0.453345D+01 -0.883265D+00 -0.196174D+00
      3  -0.751049D+00  0.278479D+01  0.120098D+01 -0.196174D+00 -0.754079D+00
                16            17            18            19            20 
      1  -0.454348D+01  0.159522D+01  0.138821D+01  0.108242D+02 -0.179046D+00
      2   0.159522D+01  0.250640D+00 -0.783562D+00 -0.179046D+00 -0.959083D+00
      3   0.138821D+01 -0.783562D+00 -0.436409D+00 -0.652343D+00 -0.295666D+00
                21            22            23            24            25 
      1  -0.652343D+00  0.482241D+01 -0.152311D+01 -0.107725D+01 -0.151548D+02
      2  -0.295666D+00 -0.152311D+01  0.252850D+01 -0.222376D+01  0.952986D-02
      3  -0.280624D+01 -0.107725D+01 -0.222376D+01 -0.112021D+01  0.597071D+00
                26            27            28            29            30 
      1   0.952986D-02  0.597071D+00 -0.323118D+02 -0.214593D+00  0.109313D+01
      2  -0.820350D+00 -0.797489D+00 -0.214593D+00 -0.151837D+01  0.197215D+00
      3  -0.797489D+00 -0.153609D+01  0.109313D+01  0.197215D+00 -0.257447D+01
                31            32            33            34            35 
      1   0.232303D+01 -0.514732D+01 -0.140699D+01  0.284039D+01 -0.129851D+01
      2  -0.514732D+01  0.567111D+00  0.343644D+00 -0.129851D+01 -0.152812D+00
      3  -0.140699D+01  0.343644D+00 -0.657823D-01 -0.915278D+00 -0.753797D+00
                36            37            38            39            40 
      1  -0.915278D+00  0.156591D+02 -0.555609D+00 -0.896442D+00 -0.370598D+01
      2  -0.753797D+00 -0.555609D+00 -0.179737D+01  0.124947D+01 -0.200044D+01
      3   0.924661D+00 -0.896442D+00  0.124947D+01 -0.172343D+01 -0.209604D+00
                41            42            43            44            45 
      1  -0.200044D+01 -0.209604D+00  0.127315D+02 -0.206383D+01  0.575580D+00
      2  -0.254611D+01  0.253489D+01 -0.206383D+01  0.128872D+01  0.134352D+01
      3   0.253489D+01  0.212339D+01  0.575580D+00  0.134352D+01  0.136743D+01
                46            47            48            49            50 
      1  -0.116163D+02  0.630103D+00  0.491655D+00 -0.325180D+01  0.111365D+01
      2   0.630103D+00  0.132659D+01 -0.665129D+00  0.111365D+01 -0.345120D+01
      3   0.491655D+00 -0.665129D+00  0.299033D+01  0.157936D+01  0.208467D+01
                51            52            53            54            55 
      1   0.157936D+01  0.146401D+02  0.130509D+01 -0.117156D+01 -0.187994D+02
      2   0.208467D+01  0.130509D+01 -0.770346D-01  0.144047D+01 -0.212005D+01
      3   0.105635D+01 -0.117156D+01  0.144047D+01  0.713973D+00 -0.264990D+00
                56            57            58            59            60 
      1  -0.212005D+01 -0.264990D+00 -0.662197D+01 -0.759240D+01 -0.556931D+00
      2  -0.356052D+01 -0.115722D+00 -0.759240D+01  0.271068D+01 -0.164508D+01
      3  -0.115722D+00 -0.138535D+01 -0.556931D+00 -0.164508D+01  0.552063D-01
                61            62            63            64            65 
      1  -0.677871D+01 -0.128667D+01 -0.306280D+01  0.370268D+00  0.311826D+01
      2  -0.128667D+01 -0.306884D+01  0.608288D+00  0.311826D+01  0.383351D+01
      3  -0.306280D+01  0.608288D+00  0.536896D+01 -0.323372D-01  0.381142D+00
                66            67            68            69            70 
      1  -0.323372D-01  0.127592D+02  0.675667D+01  0.783342D+00  0.691355D+01
      2   0.381142D+00  0.675667D+01 -0.162792D+01  0.206587D+01  0.141496D+01
      3   0.242524D+01  0.783342D+00  0.206587D+01  0.595301D+00  0.369938D+01
                71            72            73            74            75 
      1   0.141496D+01  0.369938D+01  0.588323D+01 -0.264356D+01 -0.117322D+01
      2   0.299990D+01  0.638853D+00 -0.264356D+01 -0.353760D+01 -0.699805D+00
      3   0.638853D+00 -0.734479D+01 -0.117322D+01 -0.699805D+00 -0.182945D+01
                76            77            78            79            80 
      1  -0.407283D+01 -0.401899D+01 -0.922554D+00 -0.247990D+01 -0.102431D+01
      2  -0.401899D+01 -0.323258D+00 -0.280768D+01 -0.102431D+01 -0.397643D+01
      3  -0.922554D+00 -0.280768D+01 -0.115849D+01 -0.262695D+01 -0.199635D+01
                81            82            83            84            85 
      1  -0.262695D+01  0.514382D+01 -0.183573D+01 -0.622569D+00 -0.425513D+01
      2  -0.199635D+01 -0.183573D+01 -0.355389D+01 -0.536741D+00 -0.579209D+01
      3   0.529690D+01 -0.622569D+00 -0.536741D+00 -0.287195D+01 -0.909652D+00
                86            87            88            89            90 
      1  -0.579209D+01 -0.909652D+00 -0.231690D+01 -0.992498D+00 -0.454666D+01
      2   0.228020D+01 -0.373900D+01 -0.992498D+00 -0.387978D+01 -0.327523D+00
      3  -0.373900D+01 -0.478740D+00 -0.454666D+01 -0.327523D+00  0.449048D+01
                91            92            93            94            95 
      1   0.644702D+01  0.242264D+01  0.208183D+00 -0.181083D+01  0.677055D+01
      2   0.242264D+01  0.214228D+01  0.108544D+01  0.677055D+01 -0.384613D+01
      3   0.208183D+00  0.108544D+01  0.139751D+01  0.195063D+01 -0.111501D+00
                96            97            98            99           100 
      1   0.195063D+01  0.366108D+01  0.198518D+01  0.191621D+01  0.379931D+01
      2  -0.111501D+00  0.198518D+01  0.201167D+01  0.201425D+01 -0.224972D+01
      3   0.146040D+01  0.191621D+01  0.201425D+01 -0.441908D+01  0.177867D+01
               101           102           103           104           105 
      1  -0.224972D+01  0.177867D+01 -0.281749D+01 -0.925812D+00 -0.138899D+01
      2   0.398155D+00 -0.933874D+00 -0.925812D+00  0.395316D+01  0.121270D+00
      3  -0.933874D+00  0.479014D+00 -0.138899D+01  0.121270D+00 -0.206967D+01
               106           107           108           109           110 
      1   0.400751D+01 -0.318807D+01  0.145434D+01 -0.613446D+01  0.235337D+01
      2  -0.318807D+01  0.242636D+01 -0.260086D+01  0.235337D+01 -0.160463D+01
      3   0.145434D+01 -0.260086D+01  0.287778D+01 -0.357734D+01  0.699719D+00
               111           112           113           114           115 
      1  -0.357734D+01  0.409289D+01 -0.260408D+01  0.127549D+01 -0.101689D+02
      2   0.699719D+00 -0.260408D+01  0.252082D+01 -0.220622D+01  0.375324D+01
      3  -0.191107D+01  0.127549D+01 -0.220622D+01  0.215286D+01 -0.335468D+01
               116           117           118           119           120 
      1   0.375324D+01 -0.335468D+01  0.867630D+00 -0.366404D-01  0.119180D+01
      2  -0.475565D+01  0.211638D+01 -0.366404D-01  0.233227D+01  0.497182D+00
      3   0.211638D+01 -0.751755D+01  0.119180D+01  0.497182D+00  0.262425D+00
               121           122           123           124           125 
      1   0.100497D+01  0.228068D+01  0.209217D+00  0.460419D+01 -0.147742D+01
      2   0.228068D+01 -0.664960D+01  0.593921D+00 -0.147742D+01  0.275261D+01
      3   0.209217D+00  0.593921D+00  0.362299D+00 -0.115364D+01  0.266950D+01
               126           127           128           129           130 
      1  -0.115364D+01  0.196293D+01  0.625522D+00 -0.201445D+01  0.209255D+00
      2   0.266950D+01  0.625522D+00  0.270608D+00 -0.423209D+00  0.182995D+00
      3   0.465367D+01 -0.201445D+01 -0.423209D+00  0.212230D+01 -0.715325D+00
               131           132           133           134           135 
      1   0.182995D+00 -0.715325D+00 -0.231773D+01 -0.885651D+00  0.268991D+01
      2   0.440803D+00 -0.684393D+00 -0.885651D+00 -0.119198D+01  0.170147D+01
      3  -0.684393D+00  0.229163D+01  0.268991D+01  0.170147D+01 -0.726962D+01
               136           137           138           139           140 
      1  -0.358933D+01  0.100506D+01 -0.191148D+01  0.157316D+01 -0.580982D+00
      2   0.100506D+01 -0.703348D+00  0.607327D+00 -0.580982D+00  0.587131D+00
      3  -0.191148D+01  0.607327D+00 -0.179601D+01  0.112013D+01 -0.617417D+00
               141           142           143           144           145 
      1   0.112013D+01 -0.233032D+01  0.886527D+00 -0.252399D+01 -0.207409D+01
      2  -0.617417D+00  0.886527D+00 -0.120170D+01  0.142649D+01 -0.687096D+00
      3   0.172913D+01 -0.252399D+01  0.142649D+01 -0.456904D+01  0.210371D+01
               146           147           148           149           150 
      1  -0.687096D+00  0.210371D+01 -0.495763D+00 -0.198052D+00  0.734397D+00
      2  -0.352619D+00  0.672161D+00 -0.198052D+00 -0.648386D+00  0.902864D+00
      3   0.672161D+00 -0.226478D+01  0.734397D+00  0.902864D+00 -0.239485D+01
               151           152           153           154           155 
      1   0.204399D+01  0.105961D+01 -0.275276D+01  0.370569D+01 -0.115372D+01
      2   0.105961D+01  0.160515D+01 -0.246360D+01 -0.115372D+01  0.925502D+00
      3  -0.275276D+01 -0.246360D+01  0.760095D+01  0.256308D+01 -0.114944D+01
               156           157           158           159           160 
      1   0.256308D+01 -0.207826D+01  0.828168D+00 -0.140274D+01  0.269518D+01
      2  -0.114944D+01  0.828168D+00 -0.921047D+00  0.957102D+00 -0.128415D+01
      3   0.236025D+01 -0.140274D+01  0.957102D+00 -0.204688D+01  0.301182D+01
               161           162           163           164           165 
      1  -0.128415D+01  0.301182D+01  0.118890D+01 -0.789903D-02 -0.149656D+01
      2   0.165101D+01 -0.219135D+01 -0.789903D-02  0.735461D+00  0.294162D+00
      3  -0.219135D+01  0.517126D+01 -0.149656D+01  0.294162D+00  0.136366D+01
               166           167           168           169           170 
      1   0.186834D+01  0.119797D+01 -0.494001D-01 -0.371596D+01  0.111819D+00
      2   0.119797D+01 -0.401811D+00 -0.728585D+00  0.111819D+00 -0.113864D+01
      3  -0.494001D-01 -0.728585D+00  0.749790D-01  0.244295D+01 -0.119687D+01
               171           172           173           174           175 
      1   0.244295D+01  0.465929D+01 -0.190362D+01  0.634365D+00 -0.445358D+01
      2  -0.119687D+01 -0.190362D+01  0.235835D+01 -0.575478D-01  0.363161D+01
      3  -0.629392D+01  0.634365D+00 -0.575478D-01  0.368895D+00 -0.181712D+00
               176           177           178           179           180 
      1   0.363161D+01 -0.181712D+00  0.539053D+01 -0.439520D+00  0.105091D+01
      2  -0.679380D+01  0.818961D+00 -0.439520D+00  0.204574D+01 -0.108725D+01
      3   0.818961D+00 -0.753930D+00  0.105091D+01 -0.108725D+01  0.280159D+00
               181           182           183           184           185 
      1  -0.836398D+00 -0.814181D+00  0.127150D+01 -0.176605D+01 -0.892349D+00
      2  -0.814181D+00 -0.863710D+00 -0.790065D-01 -0.892349D+00  0.187915D+00
      3   0.127150D+01 -0.790065D-01 -0.995503D+00  0.109196D+00  0.715836D+00
               186           187           188           189           190 
      1   0.109196D+00  0.220843D+01  0.133136D+00 -0.626159D+00 -0.877758D+01
      2   0.715836D+00  0.133136D+00  0.109556D+01 -0.391869D-01  0.642465D+00
      3  -0.644019D-01 -0.626159D+00 -0.391869D-01  0.741417D+01  0.468550D+00
               191           192           193           194           195 
      1   0.642465D+00  0.468550D+00  0.248280D+00 -0.133641D+01  0.600737D-01
      2  -0.236667D+01  0.836512D-01 -0.133641D+01  0.776151D+00  0.354894D+00
      3   0.836512D-01 -0.634615D+00  0.600737D-01  0.354894D+00  0.381104D+00
               196           197           198           199           200 
      1   0.526391D+00 -0.126485D+00 -0.344204D+00  0.390647D+00  0.654612D+00
      2  -0.126485D+00  0.605596D+00  0.585499D+00  0.654612D+00  0.931833D+00
      3  -0.344204D+00  0.585499D+00 -0.301450D+00 -0.101764D+01 -0.305511D+00
               201           202           203           204           205 
      1  -0.101764D+01  0.323481D+00  0.595828D+00 -0.104893D+00 -0.172654D+01
      2  -0.305511D+00  0.595828D+00  0.826045D+00 -0.753915D+00 -0.541394D+00
      3   0.131405D+01 -0.104893D+00 -0.753915D+00  0.607904D+00  0.148688D+01
               206           207           208           209           210 
      1  -0.541394D+00  0.148688D+01  0.253002D+01  0.274423D+01  0.954815D+00
      2  -0.196726D+01  0.195671D+01  0.274423D+01  0.345752D+01  0.729656D+00
      3   0.195671D+01 -0.667544D+01  0.954815D+00  0.729656D+00  0.950737D+00
               211           212           213           214           215 
      1   0.230553D+01  0.340882D+01  0.898385D+00  0.194094D+01  0.155167D+01
      2   0.340882D+01  0.680449D+01  0.195878D+01  0.155167D+01  0.346252D+01
      3   0.898385D+00  0.195878D+01  0.134309D+01  0.130702D+01  0.189345D+01
               216           217           218           219           220 
      1   0.130702D+01  0.198910D+01  0.126309D+00 -0.160243D+01  0.439739D+00
      2   0.189345D+01  0.126309D+00  0.584565D+00  0.554985D-01  0.120582D+01
      3   0.114239D+01 -0.160243D+01  0.554985D-01  0.166098D+01  0.668105D-04
               221           222           223           224           225 
      1   0.120582D+01  0.668105D-04 -0.443018D+01  0.125396D+00  0.340427D+01
      2  -0.171969D+00 -0.478940D+00  0.125396D+00 -0.915500D+00 -0.330761D-01
      3  -0.478940D+00  0.121022D+00  0.340427D+01 -0.330761D-01 -0.608937D+01
               226           227           228           229           230 
      1   0.184867D+01 -0.177463D+01  0.873286D+00 -0.403478D+01  0.345256D+01
      2  -0.177463D+01  0.177181D+01 -0.511529D+00  0.345256D+01 -0.591275D+01
      3   0.873286D+00 -0.511529D+00  0.823673D+00 -0.103931D+01  0.196882D+01
               231           232           233           234           235 
      1  -0.103931D+01  0.192109D+01 -0.918026D+00  0.164978D+01  0.486946D+01
      2   0.196882D+01 -0.918026D+00  0.216335D+01 -0.133500D+01  0.254857D+01
      3  -0.149917D+01  0.164978D+01 -0.133500D+01  0.109162D+01  0.179927D+01
               236           237           238           239           240 
      1   0.254857D+01  0.179927D+01  0.591167D+01  0.367716D+01  0.164022D+01
      2   0.196592D+01  0.911313D+00  0.367716D+01  0.346780D+01  0.182470D+01
      3   0.911313D+00  0.137375D+01  0.164022D+01  0.182470D+01  0.158325D+01
               241           242           243           244           245 
      1   0.383235D+01  0.151546D+01  0.254702D+01  0.384557D+00 -0.877664D+00
      2   0.151546D+01  0.200829D+01  0.137270D+01 -0.877664D+00 -0.491880D+00
      3   0.254702D+01  0.137270D+01  0.163604D+01  0.140445D+01  0.923901D-01
               246           247           248           249           250 
      1   0.140445D+01 -0.122068D+01 -0.102618D+01  0.196704D+00  0.259283D+01
      2   0.923901D-01 -0.102618D+01 -0.624209D+00  0.111752D+01  0.288537D+00
      3  -0.116246D+01  0.196704D+00  0.111752D+01 -0.124650D+01 -0.196173D+01
               251           252           253           254           255 
      1   0.288537D+00 -0.196173D+01  0.889400D+01  0.235284D-01 -0.163108D+01
      2   0.150778D+01 -0.114731D+01  0.235284D-01 -0.369271D+01 -0.768386D+00
      3  -0.114731D+01  0.612394D+01 -0.163108D+01 -0.768386D+00 -0.108299D+01
               256           257           258           259           260 
      1  -0.510249D+01 -0.405276D+01 -0.131551D+01 -0.667813D+01 -0.176133D+01
      2  -0.405276D+01  0.388522D+01 -0.137163D+01 -0.176133D+01 -0.266962D+01
      3  -0.131551D+01 -0.137163D+01 -0.180455D+01 -0.157135D+01 -0.138564D+01
               261           262           263           264           265 
      1  -0.157135D+01 -0.111722D+01  0.166134D+01  0.570426D+00  0.170620D+01
      2  -0.138564D+01  0.166134D+01 -0.229256D+01 -0.559002D+00 -0.332238D+01
      3   0.384156D+01  0.570426D+00 -0.559002D+00 -0.470414D+00 -0.686297D+00
               266           267           268           269           270 
      1  -0.332238D+01 -0.686297D+00 -0.304215D+00  0.624314D+00 -0.244136D+00
      2   0.102780D+02  0.206928D+01  0.624314D+00 -0.153595D+01  0.605561D+00
      3   0.206928D+01  0.176815D+01 -0.244136D+00  0.605561D+00  0.567668D+00
               271           272           273           274           275 
      1  -0.159103D+02 -0.236783D+01  0.143888D+00  0.429881D+00 -0.114728D+01
      2  -0.236783D+01 -0.148996D+01 -0.155522D+00 -0.114728D+01 -0.613392D+00
      3   0.143888D+00 -0.155522D+00 -0.103200D+01  0.125227D+00  0.216992D+00
               276           277           278           279           280 
      1   0.125227D+00  0.243282D+01  0.557060D+00 -0.122604D+01  0.103477D-01
      2   0.216992D+00  0.557060D+00  0.667489D+00 -0.501434D-01 -0.852455D+00
      3   0.231701D+00 -0.122604D+01 -0.501434D-01  0.153524D-01  0.307688D+00
               281           282           283           284           285 
      1  -0.852455D+00  0.307688D+00 -0.141352D+01 -0.692708D-01 -0.165219D-01
      2   0.235746D+01  0.252590D+00 -0.692708D-01 -0.846922D+01  0.510619D-01
      3   0.252590D+00  0.431210D+00 -0.165219D-01  0.510619D-01 -0.847534D+00
               286           287           288           289           290 
      1   0.105473D+01  0.342931D+00  0.744959D-01 -0.501382D+00  0.247338D+00
      2   0.342931D+00  0.137770D+01 -0.781076D+00  0.247338D+00  0.508355D+00
      3   0.744959D-01 -0.781076D+00 -0.972770D-01 -0.575349D+00  0.195735D+00
               291           292           293           294           295 
      1  -0.575349D+00  0.120412D+01  0.363199D+00  0.195609D+00 -0.190261D+01
      2   0.195735D+00  0.363199D+00  0.111252D+00 -0.427187D+00 -0.341233D+00
      3   0.329327D+00  0.195609D+00 -0.427187D+00  0.708215D+00 -0.760890D+00
               296           297 
      1  -0.341233D+00 -0.760890D+00
      2  -0.136374D+01 -0.306913D+00
      3  -0.306913D+00 -0.630182D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.155372D+01 -0.240661D+01  0.125612D+01 -0.708952D+01 -0.215376D+01
      2   0.323696D+01 -0.221394D+01  0.950766D+01 -0.279706D+01  0.183572D+01
      3   0.197549D+02 -0.196081D+01  0.303338D+01  0.786768D+01 -0.212284D+01
                 6             7             8             9            10 
      1  -0.216603D+01 -0.143636D+01  0.153701D+01 -0.207726D+00 -0.141889D+01
      2  -0.326297D+01 -0.391750D+01 -0.111544D+01  0.268841D+01  0.517719D+00
      3   0.220765D+01  0.157983D+02  0.250999D-01  0.281656D+01 -0.342735D+02
                11            12            13            14            15 
      1   0.275502D+00  0.166558D+01  0.208019D+01  0.399019D+01 -0.882136D+01
      2   0.797518D+00 -0.440534D+01  0.575891D+01  0.659290D-01  0.613761D+00
      3  -0.715339D+00  0.492734D+00  0.115280D+02 -0.109097D+01 -0.146307D+00
                16            17            18            19            20 
      1  -0.341756D+01 -0.128667D+01 -0.472240D+01 -0.336701D+00  0.155683D+01
      2  -0.275767D+02 -0.197443D+01 -0.248222D+01 -0.461692D+01 -0.204946D+01
      3  -0.142156D+01 -0.180505D+01 -0.150143D+01 -0.133102D+02 -0.130151D+01
                21            22            23            24            25 
      1  -0.123094D+01  0.591544D+01 -0.193354D+01 -0.351572D+01  0.530280D+01
      2   0.317574D+01 -0.442766D+01 -0.224173D+01  0.925302D+00 -0.453551D+00
      3   0.247236D+01  0.765750D+01  0.175260D+01 -0.283624D+01  0.199569D+02
                26            27            28            29            30 
      1   0.109583D+01 -0.163315D+01  0.207840D+01  0.635077D+00 -0.279378D+01
      2   0.683208D+00 -0.157964D+01  0.733853D+00  0.251605D+01 -0.408952D+01
      3  -0.135454D+01 -0.446157D+01  0.315105D+02  0.415066D+00 -0.306621D+01
                31            32            33            34            35 
      1  -0.189003D+01  0.440622D+01 -0.901319D+01 -0.537994D+01 -0.406982D+00
      2   0.619903D+01 -0.268869D-01  0.249799D+01 -0.290081D+02  0.352555D+01
      3   0.888007D+01  0.522017D+01  0.832173D+00 -0.740073D+01 -0.206821D+01
                36            37            38            39            40 
      1  -0.323188D+01 -0.268730D+01 -0.413986D+00 -0.981339D+00 -0.620361D+01
      2  -0.169877D+01  0.202003D+01 -0.275936D+01  0.857438D+01 -0.425562D+01
      3   0.196998D+01 -0.160949D+02 -0.548612D+00  0.309226D+01  0.136890D+02
                41            42            43            44            45 
      1   0.161660D+01  0.110912D+01 -0.227675D+01  0.337680D+01  0.224981D+01
      2   0.176062D+01 -0.216590D+01 -0.620993D+01 -0.993640D+00  0.264039D+01
      3  -0.550061D-02  0.259501D+01 -0.122342D+02  0.437113D+01  0.162543D+01
                46            47            48            49            50 
      1   0.135177D+01  0.974612D+00  0.246443D+01  0.911636D+01  0.142785D+01
      2  -0.336650D+01 -0.213141D+01  0.394863D+01 -0.440728D+01 -0.172841D+01
      3   0.149703D+02 -0.244038D+01 -0.578225D+00  0.141492D+02  0.904350D+00
                51            52            53            54            55 
      1  -0.249502D+01  0.280356D+01  0.328487D+01  0.475610D+00 -0.149146D+01
      2   0.118503D+01 -0.730440D+00  0.147064D+01 -0.226942D+01 -0.454751D+01
      3  -0.468727D+01 -0.118916D+02 -0.128140D+01 -0.133448D+01  0.196075D+02
                56            57            58            59            60 
      1  -0.174355D+00 -0.567870D+00 -0.304511D+00 -0.542688D+01 -0.863842D+00
      2   0.207967D+00 -0.144790D+00 -0.222708D+01 -0.105864D+02  0.172479D+01
      3   0.995036D+01  0.576388D+00  0.381160D+02 -0.873834D+00  0.589443D+01
                61            62            63            64            65 
      1   0.101452D+00  0.405432D+01  0.452294D+01  0.224843D+01  0.107804D+01
      2  -0.216689D+02  0.432085D+00  0.209154D+02  0.435382D+01  0.159158D+01
      3   0.112659D+02  0.111115D+02  0.181460D+01 -0.214897D+02 -0.199941D+02
                66            67            68            69            70 
      1  -0.164189D+01 -0.547956D+00 -0.151423D+01 -0.224196D+01  0.300987D+00
      2   0.126588D+02  0.532971D+01  0.103234D+02  0.520697D+00  0.125893D+02
      3  -0.180829D+01 -0.283523D+02  0.554876D+01 -0.849662D+01 -0.122446D+02
                71            72            73            74            75 
      1   0.440925D+01  0.446019D+01  0.215014D+01  0.217744D+01  0.459283D+01
      2   0.363094D+01 -0.340352D+02 -0.118851D+01 -0.420197D+01 -0.459174D+01
      3  -0.127609D+02 -0.289598D+01  0.269599D+02  0.342035D+01  0.779347D+00
                76            77            78            79            80 
      1   0.330537D+01  0.906968D+01  0.175214D+01  0.681301D+01  0.852680D+01
      2  -0.534676D+01 -0.104908D+02 -0.419023D+01 -0.117212D+02 -0.696881D+01
      3   0.102046D+02 -0.643042D+01  0.811679D+01  0.150640D+01  0.116519D+02
                81            82            83            84            85 
      1  -0.115318D+02 -0.355482D+00 -0.312518D+00  0.272093D+00 -0.189762D-01
      2   0.182065D+02 -0.634951D+01 -0.241602D+01 -0.147904D+02 -0.419417D+01
      3   0.340437D+01  0.937779D+01  0.187529D+02  0.300490D+01  0.386243D+02
                86            87            88            89            90 
      1   0.113351D+01 -0.225097D+01  0.662964D+00  0.103685D+01 -0.111929D+01
      2  -0.209622D+02 -0.116888D+01 -0.305053D+02 -0.159917D+01  0.263457D+02
      3  -0.140554D+02  0.216944D+02  0.526592D+01  0.220218D+02  0.208369D+01
                91            92            93            94            95 
      1   0.323973D+00  0.498475D+00  0.223215D+01  0.251650D+01 -0.168547D+01
      2  -0.451659D+01 -0.400714D+01 -0.107094D+00 -0.422791D+01 -0.271262D+01
      3  -0.436904D+01  0.117698D+01  0.365863D+01  0.378120D+02 -0.183005D+02
                96            97            98            99           100 
      1  -0.315837D+01  0.323267D+01  0.536753D+01 -0.163880D+01 -0.658824D+00
      2  -0.678943D+01 -0.166498D+02 -0.691201D+01  0.161722D+02  0.212173D+01
      3  -0.149180D+01  0.308756D+01  0.479561D+01  0.544788D+01  0.134777D+02
               101           102           103           104           105 
      1  -0.568337D+01 -0.564375D+01  0.369230D+00 -0.342982D+00  0.243002D+01
      2   0.355088D+01  0.447659D+01  0.215257D+01  0.167953D+01  0.142318D+02
      3  -0.130394D+02 -0.553544D+01 -0.604500D+01  0.471318D+01  0.267451D+01
               106           107           108           109           110 
      1  -0.758300D+01 -0.482420D+00 -0.395784D+01  0.420241D+01  0.297633D+01
      2  -0.498556D+01  0.108188D+02 -0.173458D+02  0.900145D+01 -0.252886D+01
      3  -0.148705D+02  0.159345D+02 -0.699066D+01 -0.340289D+00 -0.533764D+01
               111           112           113           114           115 
      1   0.415721D+01 -0.533807D+00 -0.386065D-01 -0.677228D+01  0.450090D+01
      2   0.916828D+01 -0.486729D+00  0.736155D+01 -0.108798D+02  0.487748D+01
      3   0.776304D+00 -0.633265D+01  0.119659D+02 -0.782984D+01  0.165113D+02
               116           117           118           119           120 
      1   0.537197D+01  0.114267D+02 -0.380529D+01  0.274212D+01  0.267927D+00
      2  -0.665799D+01  0.308150D+02 -0.536716D+01 -0.120200D+01  0.145714D+00
      3  -0.210908D+02  0.621557D+01 -0.220933D+01  0.747200D+01  0.436580D+01
               121           122           123           124           125 
      1   0.616576D+00 -0.530489D+01 -0.278243D+01 -0.231219D+01  0.763566D+01
      2  -0.294460D+01 -0.392166D+01 -0.219558D+01 -0.942230D+00 -0.798200D+01
      3   0.774016D+01 -0.180102D+02  0.230570D+01 -0.338179D+01  0.863162D+01
               126           127           128           129           130 
      1  -0.668697D+01 -0.180458D+01 -0.197611D+01  0.955630D+00 -0.192823D+00
      2  -0.152324D+02  0.442517D+01  0.932105D+00 -0.109251D+01  0.426517D+00
      3   0.869903D+01 -0.165454D+00 -0.950925D+00  0.814664D+00  0.813549D+00
               131           132           133           134           135 
      1  -0.141317D+01 -0.368319D-01  0.275136D+01  0.521010D+01 -0.471522D+01
      2  -0.910659D-01  0.565338D+00 -0.470622D+01 -0.357179D+00 -0.171253D+01
      3  -0.487627D+00  0.397912D+00  0.859272D+00  0.214506D+01 -0.158594D+01
               136           137           138           139           140 
      1  -0.234049D+01  0.296738D+01 -0.734672D+00  0.949930D+00 -0.114216D+01
      2  -0.788642D+01  0.168882D+01 -0.106570D+01  0.179611D+01 -0.465267D+00
      3   0.345429D+00 -0.147694D+01  0.711370D+00  0.232573D+00  0.132394D+01
               141           142           143           144           145 
      1  -0.548600D+00 -0.197625D+01  0.397467D+01 -0.260308D+01  0.167529D+01
      2   0.590482D-01 -0.408042D+01  0.555455D+00  0.974907D+00  0.426825D+01
      3  -0.367293D+00  0.536042D+00 -0.246867D+01  0.165191D+01  0.259806D+01
               146           147           148           149           150 
      1  -0.949118D+00 -0.221649D+01  0.104637D+01 -0.777304D-01 -0.344560D+01
      2   0.459459D+00 -0.103567D+01  0.627868D+00 -0.254317D+00  0.486471D+00
      3   0.208205D-01 -0.200337D+01  0.151289D+01 -0.374512D+00 -0.449396D+00
               151           152           153           154           155 
      1  -0.166061D+01  0.224751D+01  0.549276D+01  0.243245D+01  0.131843D+01
      2  -0.429779D+01 -0.342163D+00 -0.117384D+01 -0.552468D+01  0.296282D+00
      3  -0.224985D+01  0.838335D+00  0.180659D+01 -0.504989D+01 -0.803590D+00
               156           157           158           159           160 
      1   0.219105D+01 -0.141838D+01  0.142953D+00 -0.361442D+01  0.235250D+01
      2  -0.387403D+00  0.126130D+01  0.126122D+00 -0.823384D+00 -0.285386D+01
      3  -0.227721D+01  0.420237D+01  0.557361D+00  0.846814D+00 -0.297651D+01
               161           162           163           164           165 
      1   0.145879D+01  0.405482D+01 -0.132383D+01 -0.613558D+00  0.111576D+01
      2  -0.131836D+00  0.197640D+01 -0.519316D+01  0.700986D+00  0.538669D+01
      3  -0.123762D+01 -0.192412D+01 -0.184341D+01 -0.348152D+01  0.605038D+00
               166           167           168           169           170 
      1   0.109740D+00 -0.349429D+00 -0.856604D+00  0.217351D+01  0.221155D+01
      2   0.668829D+00 -0.125854D+01  0.586544D+00  0.238906D+01 -0.394497D+01
      3  -0.347792D+01  0.291031D+00  0.185624D+01  0.305811D+01  0.405414D+01
               171           172           173           174           175 
      1  -0.630487D+01  0.923637D+00 -0.105804D+01  0.134888D+01 -0.153584D+01
      2  -0.206535D+02  0.505931D+01 -0.145584D+01  0.305282D+01 -0.269897D+01
      3   0.306007D+00  0.967163D+00 -0.719568D+01 -0.298454D+00 -0.441335D+01
               176           177           178           179           180 
      1   0.351701D+01 -0.330672D+01  0.149071D+01 -0.124179D+01  0.110581D+01
      2   0.567997D+01 -0.356781D+01  0.362375D+01 -0.411905D+01  0.701098D+00
      3   0.183306D+02 -0.190773D+01 -0.387676D+01 -0.654155D+01  0.193516D+01
               181           182           183           184           185 
      1  -0.261143D+01 -0.154225D+01  0.795591D+00 -0.110448D+01 -0.344548D+00
      2   0.805239D+01  0.712373D+00 -0.458459D+01  0.220084D+01  0.370599D+01
      3   0.277990D+01  0.267710D+01  0.409899D+00  0.543379D+01 -0.658655D+00
               186           187           188           189           190 
      1  -0.509706D+00  0.152665D+01  0.340457D+01 -0.401995D+01  0.426334D+00
      2  -0.843992D+00 -0.843750D+01 -0.107079D+01  0.305296D+02 -0.147098D+01
      3  -0.280115D+01  0.112125D+00 -0.383353D+01 -0.180926D+00 -0.265757D+02
               191           192           193           194           195 
      1   0.646594D+00  0.220739D+01  0.896071D-01 -0.911504D+00 -0.109643D+01
      2   0.451668D+00 -0.310281D+00  0.349690D+00  0.851417D+00  0.263164D+00
      3   0.659301D+01  0.707682D+00  0.668210D+01 -0.402491D+01 -0.122675D+01
               196           197           198           199           200 
      1   0.235604D+01  0.566433D+00  0.604362D+00  0.227172D+01 -0.342122D-01
      2  -0.349996D+01  0.118604D+01 -0.991607D+00 -0.331146D+01 -0.113189D+01
      3   0.100971D+01 -0.235679D+01 -0.290607D+01 -0.251445D+01 -0.332361D+01
               201           202           203           204           205 
      1  -0.280990D+01  0.269090D+00  0.125161D+01 -0.223302D+01 -0.294816D+01
      2   0.482196D+01 -0.363021D+00 -0.219356D+01  0.145670D+01  0.873856D+00
      3  -0.356686D+00 -0.496782D+00 -0.165425D+01  0.218137D+01 -0.204509D+01
               206           207           208           209           210 
      1  -0.269427D+00  0.149156D+02 -0.275060D+01 -0.219228D+01 -0.374434D+01
      2   0.624529D+01 -0.224149D+02  0.360729D+01  0.310865D+01  0.456287D+01
      3   0.703317D+01 -0.522306D+01 -0.488224D+01 -0.931887D+01 -0.690594D+00
               211           212           213           214           215 
      1  -0.350653D+01 -0.563799D+01 -0.574024D+01 -0.360229D+01 -0.346172D+01
      2   0.324199D+01  0.754391D+01  0.583253D+01  0.368025D+01  0.690749D+01
      3  -0.359579D+01 -0.187776D+02 -0.496390D+01 -0.957746D+00 -0.103047D+02
               216           217           218           219           220 
      1  -0.350563D+01  0.290839D+00 -0.391778D+00 -0.506603D-01  0.137334D+00
      2   0.429324D+01 -0.941690D+01  0.235288D+00  0.108978D+02 -0.595657D-01
      3  -0.453443D+01 -0.608129D+00 -0.421684D+01 -0.331244D+00 -0.497193D+01
               221           222           223           224           225 
      1   0.370609D-01 -0.841062D+00 -0.646994D+00  0.251797D+01  0.913274D+00
      2  -0.256471D+01  0.620907D+00  0.160201D+02 -0.112063D+00 -0.357784D+02
      3   0.983132D+00  0.221471D+01 -0.827525D+00  0.599764D+01 -0.178284D+00
               226           227           228           229           230 
      1  -0.742547D+00  0.702980D+00  0.421334D+00  0.789754D+00 -0.245053D+01
      2   0.438970D+01 -0.242416D+01  0.512297D+01 -0.403402D+01  0.105362D+02
      3   0.955234D+01 -0.109730D+02  0.293619D+01 -0.153970D+02  0.336151D+02
               231           232           233           234           235 
      1  -0.161039D+01 -0.245154D+00  0.178398D+01  0.184788D+00  0.285915D+00
      2  -0.932704D+01  0.689486D+01 -0.722706D+01  0.561465D+01  0.836455D+01
      3  -0.109503D+02  0.446986D+01 -0.126014D+02  0.699500D+01 -0.125822D+02
               236           237           238           239           240 
      1   0.820519D+00 -0.896807D+00  0.290607D+00  0.119471D+01 -0.151598D+01
      2   0.438313D+01  0.922113D+01  0.696622D+01  0.944261D+01  0.968033D+01
      3  -0.129534D+02 -0.500370D+01 -0.173496D+02 -0.201942D+02 -0.101480D+02
               241           242           243           244           245 
      1  -0.663704D+00  0.150302D+01 -0.672021D+00  0.368829D+00 -0.314968D+00
      2   0.116108D+02  0.728094D+01  0.867962D+01 -0.593536D+01  0.190035D-01
      3  -0.727614D+01 -0.121253D+02 -0.735285D+01 -0.293361D+01 -0.182592D+01
               246           247           248           249           250 
      1  -0.879320D+00 -0.529843D-01 -0.135121D-01 -0.105938D+01 -0.124464D+01
      2   0.389423D+01  0.979765D-01 -0.269795D+01  0.433595D+01  0.138983D+01
      3  -0.480402D+00 -0.936802D+00 -0.121161D+01  0.297077D+01 -0.893164D+00
               251           252           253           254           255 
      1   0.263352D+01  0.340502D+01 -0.205421D+01  0.103084D+01 -0.240345D+01
      2   0.391718D+01 -0.193641D+02  0.150234D+02  0.392462D+01  0.654002D+01
      3   0.392304D+01 -0.240038D+01 -0.163318D+02 -0.168270D+02 -0.170287D+00
               256           257           258           259           260 
      1  -0.152157D+01 -0.609730D+01 -0.382548D+01 -0.829137D+00  0.126342D+01
      2   0.534226D+01  0.495447D+01  0.625519D+01  0.487051D+01  0.515255D+01
      3  -0.833381D+01  0.216607D+02 -0.388662D+01  0.522434D+00 -0.708656D+01
               261           262           263           264           265 
      1   0.927421D+01  0.946998D+00 -0.148928D+01  0.738324D+00 -0.288395D+01
      2  -0.189789D+02 -0.801828D+00  0.559317D+00  0.134950D+01  0.405861D+00
      3  -0.457411D+01  0.343746D+01 -0.540989D+01 -0.200683D+01 -0.595971D+01
               266           267           268           269           270 
      1   0.916186D+01 -0.223701D+01  0.413145D+00 -0.105927D+01  0.938757D+00
      2  -0.429852D+01 -0.577110D+01  0.314417D+00 -0.192659D+01 -0.136511D+01
      3   0.321509D+02  0.658888D+01  0.181464D+01 -0.549612D+01  0.182397D+01
               271           272           273           274           275 
      1   0.117312D+01  0.539275D+00 -0.230828D+01  0.934980D+00  0.706491D+00
      2  -0.795387D+01 -0.258446D+00  0.774472D+01 -0.938229D+00 -0.145139D+01
      3   0.152354D+02 -0.571430D+01 -0.110801D+01 -0.386600D+01 -0.751307D+00
               276           277           278           279           280 
      1  -0.157568D+00 -0.216687D+01  0.562490D+00 -0.148301D+00  0.148775D+01
      2  -0.498474D+00  0.466198D+01 -0.984092D-01 -0.144143D+00 -0.107573D+01
      3   0.866170D+00 -0.152413D+01  0.194770D+01  0.182312D+01 -0.534070D+01
               281           282           283           284           285 
      1  -0.768914D+00  0.169744D+01 -0.433755D+00  0.511809D+01 -0.405049D+01
      2  -0.108734D+01 -0.132297D+01 -0.829419D+00  0.332536D-02  0.287870D+01
      3   0.911326D+01 -0.115785D+00  0.543063D+01 -0.312644D+02  0.713987D+00
               286           287           288           289           290 
      1   0.741726D+00 -0.112819D+01  0.477328D+00 -0.181010D+01 -0.619090D+00
      2  -0.166695D+01  0.261364D+01  0.479924D+00  0.433993D+01 -0.244641D-01
      3  -0.116173D+01  0.443041D+01 -0.296867D+01  0.142647D+01  0.106747D+01
               291           292           293           294           295 
      1   0.523749D+00 -0.290842D+00 -0.217897D+01  0.101630D+01 -0.220635D+00
      2  -0.186341D+01  0.141239D+01  0.207519D+01 -0.323566D+01 -0.189714D+01
      3   0.115200D+01  0.964890D+00  0.185919D+00 -0.177673D+01  0.145918D+01
               296           297 
      1   0.345148D+01 -0.115613D+02
      2   0.198869D+00  0.251960D+02
      3  -0.449964D+01  0.594100D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.391872D+01 -0.812737D+01  0.200008D+02  0.187845D+02 -0.313039D+01
      2   0.759301D+01  0.390666D+01 -0.766020D+01 -0.480597D+01  0.404678D+01
      3  -0.367429D+01  0.422071D+01 -0.123406D+02 -0.139785D+02 -0.916388D+00
      4  -0.561992D+00  0.260364D+01  0.340330D-01  0.861951D+01  0.473699D+01
      5   0.180935D+02  0.104259D+01 -0.760013D+01 -0.497443D+01 -0.253632D+01
      6   0.234084D+00 -0.263714D+01  0.376966D+00 -0.597017D+00  0.405117D+01
                 6             7             8             9            10 
      1  -0.172600D+02 -0.257148D+02 -0.968397D+01  0.558933D+01  0.575087D+02
      2   0.128690D+01  0.405937D+01  0.160751D+01  0.418206D+01 -0.229803D+02
      3   0.159731D+02  0.216555D+02  0.807646D+01 -0.977139D+01 -0.345284D+02
      4  -0.398061D+01  0.391758D+01 -0.209786D+01 -0.510702D+01 -0.125722D+02
      5  -0.446325D+01  0.819902D+01 -0.466479D+01  0.644398D+01 -0.508438D+01
      6   0.119708D+02 -0.720289D+01  0.448366D+01  0.142219D+02  0.214673D+01
                11            12            13            14            15 
      1   0.729063D+01 -0.819422D+00  0.976301D+01 -0.570004D+00  0.639551D+01
      2  -0.584922D+01  0.314565D+01 -0.104622D+02  0.691816D+01 -0.768578D+00
      3  -0.144141D+01 -0.232623D+01  0.699186D+00 -0.634815D+01 -0.562693D+01
      4   0.155141D+01 -0.370344D+01  0.182898D+02 -0.568589D+01 -0.118090D+01
      5  -0.429963D+01  0.733904D+01  0.102732D+02 -0.106126D+01 -0.174205D+01
      6   0.638731D+00 -0.579903D+01 -0.519792D+01  0.394484D+01  0.803769D+01
                16            17            18            19            20 
      1  -0.819214D+01  0.628211D+01 -0.181127D+02 -0.526569D+00  0.539834D+01
      2  -0.645796D+00  0.399045D+01  0.177151D+01 -0.219422D+01 -0.267932D+01
      3   0.883793D+01 -0.102726D+02  0.163412D+02  0.272079D+01 -0.271902D+01
      4   0.133776D+02  0.176464D+01 -0.199239D+01  0.273283D+01 -0.591786D+00
      5  -0.126142D+02 -0.174320D+01 -0.416199D+01 -0.158436D+02  0.268312D+01
      6  -0.451776D+01  0.223206D+01 -0.452147D+01  0.284356D+01  0.401876D+01
                21            22            23            24            25 
      1  -0.248566D+02 -0.107959D+02 -0.472372D+01 -0.595533D+01  0.269298D+02
      2   0.667441D+01 -0.175866D+01  0.616319D+01 -0.104492D+00 -0.165061D+01
      3   0.181822D+02  0.125546D+02 -0.143946D+01  0.605982D+01 -0.252792D+02
      4   0.254677D+01  0.334790D+01 -0.220207D+01  0.415304D+01  0.456022D+01
      5  -0.269036D+01  0.105484D+01  0.250514D+01  0.661934D+01  0.108706D+02
      6   0.467559D+01  0.252432D+01  0.236685D+01  0.700712D+01  0.107843D+02
                26            27            28            29            30 
      1  -0.872893D+01  0.790732D+01  0.231429D+02 -0.144323D+01  0.146258D+01
      2   0.205570D+01 -0.211482D+01 -0.516552D+01  0.510436D+01  0.983682D+00
      3   0.667324D+01 -0.579251D+01 -0.179774D+02 -0.366113D+01 -0.244626D+01
      4   0.413993D+01  0.731268D+01  0.243459D+02  0.288380D+01 -0.176142D+01
      5   0.548184D+01 -0.464970D+01  0.296997D+01 -0.119275D+01  0.768449D+01
      6   0.163841D+01  0.100018D+02  0.499111D+01 -0.998047D+00  0.452098D+01
                31            32            33            34            35 
      1  -0.395638D+00 -0.380303D+00  0.791817D+01 -0.885930D+01  0.100425D+02
      2   0.680864D+01  0.482328D+01 -0.220769D+01  0.218280D+01  0.179934D+01
      3  -0.641300D+01 -0.444298D+01 -0.571048D+01  0.667650D+01 -0.118418D+02
      4   0.176335D+02  0.103728D+00  0.164172D+01  0.113823D+02  0.548539D+01
      5   0.116795D+02  0.132024D+00  0.109662D+01 -0.157862D+02  0.259303D+01
      6  -0.134910D+01  0.373548D+01  0.601035D+01 -0.133971D+01  0.220200D+01
                36            37            38            39            40 
      1  -0.206179D+02  0.823086D+01 -0.106485D+02  0.218316D+02  0.404619D+01
      2   0.311022D+01  0.950676D-01  0.923483D+01 -0.115930D+02  0.467025D+01
      3   0.175077D+02 -0.832593D+01  0.141366D+01 -0.102386D+02 -0.871644D+01
      4   0.631738D+00 -0.887125D+01 -0.171916D+01  0.441492D+01  0.164178D+02
      5  -0.310475D+01  0.119635D+02  0.228168D+01 -0.940227D+01 -0.186010D+01
      6  -0.687646D+01 -0.656610D+00 -0.494466D+01  0.486643D+01 -0.171351D+00
                41            42            43            44            45 
      1  -0.102931D+02 -0.741945D+01 -0.215653D+02 -0.463182D+01  0.972680D+01
      2   0.155457D+02 -0.102194D+02  0.233166D+01 -0.278744D+01 -0.954014D+00
      3  -0.525254D+01  0.176388D+02  0.192337D+02  0.741926D+01 -0.877279D+01
      4   0.703884D+01 -0.312180D+01 -0.228022D+01 -0.330890D+01 -0.675843D+01
      5  -0.165905D+01 -0.277721D+01  0.671927D+01 -0.621193D+01  0.880192D+01
      6  -0.613896D+01  0.594999D+01 -0.106713D+02  0.261975D+00  0.918763D+01
                46            47            48            49            50 
      1  -0.689290D+01  0.813433D+01 -0.239223D+02 -0.652945D+01 -0.157302D+02
      2   0.297259D+01 -0.685757D+01  0.769234D+01 -0.548668D+01  0.213581D+02
      3   0.392031D+01 -0.127676D+01  0.162299D+02  0.120161D+02 -0.562782D+01
      4   0.867969D+01  0.107831D+01  0.469437D+01  0.497784D+01 -0.656686D+01
      5  -0.130138D+02  0.533436D+01 -0.417747D+01  0.631156D+01  0.229186D+01
      6   0.430384D+01  0.423388D+01 -0.411550D+01 -0.299366D+00 -0.567096D+01
                51            52            53            54            55 
      1   0.297282D+01  0.377633D+02 -0.406294D+01  0.877423D+01 -0.468236D+02
      2  -0.104123D+02 -0.101232D+02 -0.158154D+00 -0.453325D+01  0.158434D+02
      3   0.743947D+01 -0.276401D+02  0.422109D+01 -0.424098D+01  0.309802D+02
      4   0.144149D+01 -0.321920D+01 -0.113173D+01  0.756822D+01  0.375468D+01
      5   0.640779D+01  0.282079D+01  0.676830D+01 -0.722628D+01 -0.229858D+01
      6   0.378469D+01  0.115744D+02 -0.295813D+01  0.771659D+01  0.143845D+01
                56            57            58            59            60 
      1  -0.956122D+01 -0.321562D+01 -0.436966D+02 -0.302890D+02 -0.454813D+01
      2   0.713657D+01 -0.169991D+01  0.301798D+02  0.349219D+01  0.483732D+01
      3   0.242466D+01  0.491553D+01  0.135168D+02  0.267968D+02 -0.289188D+00
      4  -0.246158D+02 -0.212471D+00 -0.532229D+02  0.276802D+02 -0.118777D+02
      5  -0.422772D+00 -0.102405D+02 -0.461970D+01 -0.121741D+02  0.119886D+01
      6   0.495139D+00  0.165449D+01 -0.991718D+00  0.402543D+01 -0.254635D+00
                61            62            63            64            65 
      1  -0.324025D+02 -0.772337D+01 -0.680095D+01 -0.455054D+02  0.154258D+02
      2   0.565811D+01  0.704258D+01  0.118025D+02  0.302222D+02 -0.313033D+01
      3   0.267444D+02  0.680785D+00 -0.500158D+01  0.152832D+02 -0.122954D+02
      4  -0.515936D+01 -0.211128D+02  0.704378D+01  0.164141D+02  0.287372D+02
      5  -0.244595D+02  0.442082D+01  0.389670D+02 -0.939607D+00  0.315630D+01
      6   0.370960D+01 -0.191431D+01 -0.665562D+01  0.106002D+01 -0.227123D+01
                66            67            68            69            70 
      1  -0.224437D+01  0.589597D+02  0.497260D+02 -0.141333D+00  0.229788D+02
      2  -0.166353D+01 -0.256279D+02 -0.262633D+02  0.187715D+01 -0.880713D+01
      3   0.390789D+01 -0.333318D+02 -0.234627D+02 -0.173581D+01 -0.141716D+02
      4   0.271769D+01  0.477860D+02 -0.140211D+02  0.155749D+02  0.669155D+01
      5   0.177822D+02  0.751973D+01  0.177192D+02  0.296392D+01  0.344688D+02
      6   0.299673D+01  0.326163D+01  0.452548D+01 -0.423354D+00  0.292160D+01
                71            72            73            74            75 
      1   0.235929D+01  0.334960D+02  0.522392D+02 -0.803786D+01 -0.752602D+01
      2   0.300060D+01 -0.842349D+01 -0.365785D+02 -0.708653D+01 -0.218882D+00
      3  -0.535989D+01 -0.250725D+02 -0.156607D+02  0.151244D+02  0.774491D+01
      4   0.199048D+02  0.523127D+01 -0.489500D+01 -0.308440D+02 -0.822259D+01
      5   0.443290D+01 -0.566934D+02 -0.733090D+01 -0.600509D+01 -0.123400D+02
      6   0.446774D+01 -0.672267D+01 -0.708578D+01 -0.247317D+01 -0.890123D+01
                76            77            78            79            80 
      1  -0.125390D+02 -0.317006D+02  0.302813D+01 -0.129020D+02  0.198983D+01
      2  -0.617532D+01  0.119245D+02 -0.116387D+02 -0.141248D+01 -0.147703D+02
      3   0.187143D+02  0.197761D+02  0.861053D+01  0.143144D+02  0.127805D+02
      4  -0.363059D+02 -0.137147D+02 -0.207649D+02 -0.929591D+01 -0.302277D+02
      5  -0.657932D+01 -0.202566D+02 -0.853747D+01 -0.204976D+02 -0.150251D+02
      6  -0.562986D+01 -0.165785D+02 -0.415969D+01 -0.107871D+02 -0.897852D+01
                81            82            83            84            85 
      1  -0.812899D+01  0.566158D+02 -0.185866D+02 -0.598665D+01 -0.331525D+02
      2   0.776167D+01 -0.306456D+02  0.872360D+01  0.134860D+01  0.156750D+02
      3   0.367313D+00 -0.259702D+02  0.986298D+01  0.463805D+01  0.174775D+02
      4  -0.197757D+02 -0.218678D+02 -0.394520D+02 -0.617886D+01 -0.624379D+02
      5   0.397907D+02 -0.974126D+01 -0.665730D+01 -0.322334D+02 -0.111356D+02
      6   0.197626D+02 -0.176771D+01 -0.487008D+01 -0.217906D+01 -0.934750D+01
                86            87            88            89            90 
      1  -0.548784D+02 -0.679769D+01 -0.174179D+02 -0.668572D+01 -0.440107D+02
      2   0.264609D+02  0.260299D+01  0.482822D+01  0.236668D+01  0.245593D+02
      3   0.284174D+02  0.419471D+01  0.125896D+02  0.431904D+01  0.194514D+02
      4   0.235085D+02 -0.411752D+02 -0.107294D+02 -0.405160D+02 -0.509137D+01
      5  -0.442998D+02 -0.427580D+01 -0.529280D+02 -0.403554D+01  0.493845D+02
      6   0.403514D+00 -0.499291D+01 -0.356904D+01 -0.535227D+01  0.132325D+01
                91            92            93            94            95 
      1   0.893746D+01 -0.356101D+01 -0.924200D+00 -0.827194D+01 -0.194719D+02
      2  -0.905720D+01 -0.234049D+01 -0.123803D+01  0.482351D+01  0.710416D+01
      3   0.119742D+00  0.590151D+01  0.216223D+01  0.344843D+01  0.123678D+02
      4  -0.206936D+02 -0.172537D+02 -0.849049D+01 -0.472945D+02  0.182369D+02
      5  -0.620389D+01 -0.780133D+01 -0.908111D+01 -0.144271D+02 -0.138635D+01
      6  -0.553195D+01 -0.212729D+01 -0.446072D+01 -0.241093D+01 -0.570275D+01
                96            97            98            99           100 
      1  -0.706773D+01 -0.155362D+02 -0.948973D+01 -0.136670D+01 -0.764740D+01
      2   0.426049D+00 -0.780039D+00 -0.115516D+01  0.763465D+01  0.162602D+01
      3   0.664168D+01  0.163162D+02  0.106449D+02 -0.626795D+01  0.602138D+01
      4  -0.997539D+00 -0.209703D+02 -0.148851D+02 -0.168447D+02  0.157752D+02
      5  -0.131997D+02 -0.150229D+02 -0.158211D+02  0.319240D+02 -0.174599D+02
      6  -0.341002D+01 -0.847635D+01 -0.288019D+01  0.934554D+01  0.529101D+01
               101           102           103           104           105 
      1   0.706276D+01 -0.843175D+01  0.225087D+02  0.337701D+01  0.101585D+02
      2  -0.697699D+00  0.597108D+01 -0.169318D+02  0.468052D+01 -0.290931D+01
      3  -0.636506D+01  0.246066D+01 -0.557687D+01 -0.805753D+01 -0.724915D+01
      4  -0.296100D+01  0.776487D+01  0.945576D+00 -0.209168D+02 -0.356666D+01
      5   0.706512D+01 -0.413955D+01  0.813582D+01 -0.328000D+01  0.264853D+02
      6  -0.575491D+01  0.606037D+01 -0.962687D+00 -0.155970D+01 -0.156118D+02
               106           107           108           109           110 
      1  -0.278774D+02  0.122020D+02 -0.582290D+01  0.466068D+02 -0.139562D+02
      2   0.984376D+01  0.375302D+01  0.405332D+01 -0.221601D+02  0.445163D+01
      3   0.180336D+02 -0.159550D+02  0.176958D+01 -0.244466D+02  0.950457D+01
      4   0.249964D+02 -0.231554D+02  0.221931D+02 -0.264117D+02  0.211796D+02
      5  -0.213617D+02  0.203098D+02 -0.240332D+02  0.323479D+02 -0.647034D+01
      6   0.117658D+02 -0.181858D+02  0.542767D+01 -0.111719D+02  0.413682D+01
               111           112           113           114           115 
      1   0.248692D+02 -0.182736D+02  0.469321D+01 -0.185754D+01  0.460938D+02
      2  -0.149135D+02  0.378760D+01  0.666603D+01 -0.120332D+01 -0.216561D+02
      3  -0.995570D+01  0.144860D+02 -0.113592D+02  0.306086D+01 -0.244377D+02
      4  -0.105500D+02  0.262677D+02 -0.224880D+02  0.179670D+02 -0.287923D+02
      5   0.231376D+02 -0.124692D+02  0.174304D+02 -0.204183D+02  0.374711D+02
      6  -0.763620D+01  0.590570D+01 -0.116214D+02  0.177458D+02 -0.111811D+02
               116           117           118           119           120 
      1  -0.624861D+01  0.113560D+02  0.610749D+00 -0.100911D+02 -0.130620D+02
      2  -0.374860D+01 -0.157136D+02 -0.377640D+01  0.130292D+02  0.837263D+01
      3   0.999720D+01  0.435764D+01  0.316566D+01 -0.293808D+01  0.468941D+01
      4   0.356602D+02 -0.192925D+02  0.123822D+01 -0.827149D+01  0.289481D+01
      5  -0.178594D+02  0.602092D+02 -0.819480D+01 -0.174021D+01  0.596369D+01
      6   0.165375D+02 -0.273926D+02  0.337692D+01  0.581642D+01  0.137866D+01
               121           122           123           124           125 
      1  -0.684310D+01 -0.543783D+01 -0.588930D+01 -0.152241D+02 -0.740879D+01
      2   0.153636D+02 -0.185176D+02  0.145925D+01  0.817100D+01  0.671851D+01
      3  -0.852050D+01  0.239555D+02  0.443005D+01  0.705314D+01  0.690284D+00
      4  -0.125385D+02  0.497066D+02 -0.136345D+01  0.135197D+02 -0.162269D+02
      5   0.100431D+01 -0.716739D+00 -0.521593D+01  0.181392D+02 -0.181449D+02
      6   0.313147D+01  0.747927D+00  0.106266D+02 -0.739100D+01  0.208146D+02
               126           127           128           129           130 
      1  -0.914340D+01 -0.106616D+01 -0.697084D-01  0.351787D+01 -0.294651D+01
      2  -0.680301D+01 -0.523856D+01 -0.128710D+01  0.553031D+01 -0.546072D+00
      3   0.159464D+02  0.630472D+01  0.135680D+01 -0.904818D+01  0.349258D+01
      4  -0.159744D+02  0.115042D+01  0.242234D+01 -0.908517D+00  0.134355D+01
      5  -0.340329D+02 -0.932189D+01 -0.261550D+01  0.121541D+02 -0.277625D+01
      6   0.230953D+02  0.171201D+00 -0.156973D+01 -0.479182D+00 -0.128262D+01
               131           132           133           134           135 
      1  -0.374123D+01  0.818485D+01  0.394705D+01  0.501964D+01 -0.250522D+02
      2  -0.502335D+00  0.313420D+01  0.678625D+01  0.212857D+01 -0.146458D+02
      3   0.424356D+01 -0.113191D+02 -0.107333D+02 -0.714822D+01  0.396981D+02
      4   0.116687D+01 -0.152002D+01 -0.178602D+01 -0.310128D+01  0.212155D+01
      5  -0.283233D+01  0.447164D+01  0.118746D+02  0.408295D+01 -0.192012D+02
      6  -0.306383D+01  0.263538D+01  0.998472D+00  0.554090D+01 -0.281939D+01
               136           137           138           139           140 
      1   0.320280D+01  0.472229D-01 -0.157896D+01  0.200449D+00 -0.207865D+01
      2  -0.554686D+01  0.101496D+01 -0.427223D+01  0.220758D+01 -0.313818D+00
      3   0.234406D+01 -0.106218D+01  0.585119D+01 -0.240803D+01  0.239247D+01
      4  -0.239410D+01  0.366751D+01 -0.132933D+01  0.242526D+01 -0.287585D+01
      5   0.114821D+02 -0.308006D+01  0.101430D+02 -0.446866D+01  0.332919D+01
      6  -0.591275D+00  0.175983D+01 -0.893231D+00  0.870019D+00 -0.284493D+01
               141           142           143           144           145 
      1   0.513650D+01 -0.400279D+01  0.407043D+01 -0.129078D+02 -0.292136D+01
      2   0.211025D+01 -0.528871D+01  0.108901D+01 -0.853786D+01 -0.288373D+01
      3  -0.724675D+01  0.929150D+01 -0.515944D+01  0.214457D+02  0.580509D+01
      4   0.144828D+01 -0.206547D+01  0.318874D+01 -0.262224D+01  0.553983D+01
      5  -0.588779D+01  0.125145D+02 -0.449176D+01  0.163574D+02 -0.948946D+01
      6   0.241395D+01 -0.192820D+01  0.475013D+01 -0.358884D+01 -0.581976D+01
               146           147           148           149           150 
      1  -0.176588D+01  0.566277D+01 -0.313185D+01 -0.529252D+01  0.938122D+01
      2   0.188522D+00  0.304508D+01 -0.349288D+00  0.135620D+01  0.272878D+00
      3   0.157736D+01 -0.870785D+01  0.348114D+01  0.393632D+01 -0.965410D+01
      4   0.366290D+01 -0.555985D+01  0.251019D+01  0.197591D+01 -0.308938D+01
      5  -0.367536D+01  0.124213D+02 -0.337816D+01 -0.294951D+01  0.435063D+01
      6  -0.348390D+01  0.637262D+01 -0.314481D+01 -0.580698D+01  0.931336D+01
               151           152           153           154           155 
      1   0.803025D+01  0.112077D+02 -0.307986D+02  0.254934D+01  0.255256D+01
      2   0.231723D+01 -0.265228D+01 -0.615276D+01 -0.322979D+01 -0.215981D+01
      3  -0.103475D+02 -0.855538D+01  0.369514D+02  0.680443D+00 -0.392750D+00
      4  -0.588983D+01 -0.513771D+01  0.826630D+01 -0.109222D+02  0.765056D+01
      5   0.112453D+02  0.555726D+01 -0.186639D+02  0.157778D+02 -0.627230D+01
      6   0.854899D+01  0.128569D+02 -0.239913D+02 -0.909167D+01  0.592581D+01
               156           157           158           159           160 
      1  -0.218645D+01  0.979045D+00 -0.421033D+01  0.558113D+01 -0.458971D+01
      2  -0.219019D+01  0.771601D+00  0.228390D+01 -0.244362D+00 -0.256927D+01
      3   0.437664D+01 -0.175065D+01  0.192643D+01 -0.533677D+01  0.715898D+01
      4  -0.851699D+01  0.497777D+01 -0.556873D+01  0.605462D+01 -0.897024D+01
      5   0.142756D+02 -0.738093D+01  0.522787D+01 -0.824819D+01  0.155055D+02
      6  -0.896287D+01  0.561541D+01 -0.644536D+01  0.881098D+01 -0.106686D+02
               161           162           163           164           165 
      1   0.845514D+01 -0.162075D+02  0.804674D+01  0.434087D+00 -0.726987D+01
      2  -0.352626D+01 -0.280100D+01 -0.796870D+01 -0.652419D+00  0.636872D+01
      3  -0.492888D+01  0.190085D+02 -0.780399D-01  0.218332D+00  0.901149D+00
      4   0.738405D+01 -0.108813D+02 -0.184851D+01  0.695570D+01  0.407472D+01
      5  -0.797613D+01  0.208136D+02 -0.137029D+02  0.268294D+01  0.148431D+02
      6   0.118055D+02 -0.187656D+02  0.219593D+01 -0.137913D+01 -0.221176D+01
               166           167           168           169           170 
      1   0.886670D+01  0.186039D+01 -0.180768D+01 -0.145826D+02 -0.313713D+01
      2  -0.547146D+01 -0.730797D+00  0.140237D+01  0.135941D+02  0.436136D+00
      3  -0.339524D+01 -0.112959D+01  0.405308D+00  0.988522D+00  0.270100D+01
      4   0.756935D+01 -0.391462D+01 -0.469561D+01  0.575910D+01 -0.839245D+01
      5  -0.590473D+00 -0.499704D+01  0.986462D+00  0.224277D+02 -0.832777D+01
      6  -0.167013D+01  0.152413D+01  0.526921D+01 -0.522857D+01  0.629735D+01
               171           172           173           174           175 
      1  -0.555230D+01  0.227094D+02 -0.890379D+01  0.385416D+01 -0.149453D+02
      2  -0.137255D+02 -0.450239D+01 -0.587847D+00 -0.876570D+00 -0.314481D+01
      3   0.192778D+02 -0.182070D+02  0.949163D+01 -0.297759D+01  0.180901D+02
      4  -0.110659D+02 -0.223580D+02  0.242229D+02 -0.162658D+01  0.365717D+02
      5  -0.449945D+02  0.467351D+01 -0.428556D+00  0.472388D+01 -0.110189D+01
      6   0.121055D+02 -0.108415D+01 -0.217781D+00 -0.116422D+01  0.524735D+00
               176           177           178           179           180 
      1   0.228051D+00  0.387280D+00  0.206558D+02  0.123118D+01  0.145422D+01
      2   0.215540D+02 -0.266951D+01 -0.632323D+01 -0.470557D+01  0.680041D-02
      3  -0.217820D+02  0.228223D+01 -0.143325D+02  0.347440D+01 -0.146102D+01
      4  -0.528706D+02  0.611080D+01 -0.956745D+01  0.155709D+02 -0.898838D+01
      5   0.554325D+01 -0.575505D+01  0.889442D+01 -0.788327D+01  0.220724D+01
      6  -0.121171D+01  0.447220D+01 -0.351392D+01  0.563539D+01 -0.214405D+01
               181           182           183           184           185 
      1  -0.254232D+01 -0.306316D+01  0.115045D+02 -0.961436D+01 -0.115418D+02
      2  -0.249369D+01  0.736859D+00 -0.336920D+01  0.423961D+01  0.514821D+01
      3   0.503601D+01  0.232630D+01 -0.813526D+01  0.537475D+01  0.639363D+01
      4  -0.468680D+01 -0.426208D+01  0.417963D-01 -0.346386D+01  0.104593D+01
      5   0.760118D+01 -0.360119D+00 -0.234399D+01  0.998512D+00  0.459768D+01
      6   0.125575D+01  0.393511D-01 -0.149378D+01 -0.451188D+00  0.167747D+00
               186           187           188           189           190 
      1  -0.195702D+00  0.207616D+02 -0.657466D+00 -0.234104D+02 -0.552452D+02
      2   0.907899D+00 -0.932751D+01  0.132570D+01 -0.891040D+01  0.318100D+02
      3  -0.712197D+00 -0.114341D+02 -0.668238D+00  0.323208D+02  0.234353D+02
      4   0.415715D+01  0.150980D+01  0.667382D+01 -0.205149D+01 -0.166108D+02
      5  -0.947400D+00 -0.252524D+00 -0.583004D+00  0.526752D+02  0.318618D+01
      6   0.653330D+01 -0.206622D+00  0.331769D+01  0.675747D+01  0.259669D+01
               191           192           193           194           195 
      1   0.151190D+02  0.243717D+01  0.739954D+01 -0.101560D+02 -0.757068D+00
      2  -0.151980D+02 -0.114453D+01 -0.789663D+01  0.971351D+01  0.164021D+01
      3   0.789206D-01 -0.129264D+01  0.497093D+00  0.442469D+00 -0.883146D+00
      4  -0.464198D+01  0.248643D+01  0.204901D+01 -0.295129D+00  0.214677D+01
      5   0.118598D+01 -0.177545D+01  0.658544D-01  0.255341D+01  0.862951D+00
      6   0.247131D+00 -0.330125D+01  0.599753D+00  0.124714D+01  0.203097D+01
               196           197           198           199           200 
      1   0.410297D+01 -0.256989D+01 -0.560664D+01  0.222534D+01  0.195534D+01
      2  -0.140441D+01  0.321866D+01  0.237845D+01 -0.168896D+01  0.145420D+01
      3  -0.269856D+01 -0.648770D+00  0.322818D+01 -0.536381D+00 -0.340955D+01
      4   0.138799D+01  0.395817D+01  0.192149D+01  0.596121D+01  0.958091D+01
      5   0.110916D+01  0.298978D+01 -0.313912D+01 -0.100588D+02 -0.357321D+01
      6  -0.226202D+01  0.378323D+01 -0.101639D+01 -0.393011D+01 -0.188237D+01
               201           202           203           204           205 
      1  -0.690713D+01 -0.733749D+00 -0.467726D+00  0.276751D+01 -0.105739D+02
      2   0.521625D+01  0.238398D+01  0.192143D+01 -0.283624D+01  0.760087D+01
      3   0.169088D+01 -0.165023D+01 -0.145370D+01  0.687251D-01  0.297300D+01
      4  -0.554284D+01  0.629176D+01  0.689649D+01 -0.546007D+01 -0.877073D+01
      5   0.136526D+02 -0.785255D+00 -0.576500D+01  0.377848D+01  0.156910D+02
      6   0.516271D+01 -0.164332D+01 -0.350127D+01  0.778158D+01  0.730099D+01
               206           207           208           209           210 
      1   0.593240D+01 -0.715456D+01  0.143096D+02  0.100058D+02  0.585060D+01
      2  -0.553098D+01 -0.812890D+01  0.214015D+01  0.773057D+01 -0.165470D+00
      3  -0.401424D+00  0.152835D+02 -0.164498D+02 -0.177364D+02 -0.568513D+01
      4  -0.139465D+02  0.168629D+02  0.277984D+02  0.348246D+02  0.879785D+01
      5   0.147050D+02 -0.495798D+02  0.834145D+01  0.616658D+01  0.890317D+01
      6   0.126466D+02 -0.284318D+02  0.536600D+01  0.465967D+01  0.606180D+01
               211           212           213           214           215 
      1   0.863332D+01 -0.167736D+01 -0.855306D+00  0.997974D+01 -0.180900D+01
      2   0.893574D+01  0.305463D+02  0.793426D+01 -0.465496D+00  0.122637D+02
      3  -0.175691D+02 -0.288690D+02 -0.707895D+01 -0.951424D+01 -0.104547D+02
      4   0.345534D+02  0.565969D+02  0.157875D+02  0.164495D+02  0.275366D+02
      5   0.692824D+01  0.141565D+02  0.105040D+02  0.116961D+02  0.144405D+02
      6   0.582592D+01  0.124890D+02  0.981796D+01  0.785664D+01  0.125717D+02
               216           217           218           219           220 
      1   0.145074D+01  0.253784D+02  0.129555D+01 -0.194824D+02  0.402901D+01
      2   0.253889D+01 -0.150946D+02 -0.578887D+00  0.113028D+02 -0.181457D+01
      3  -0.398963D+01 -0.102838D+02 -0.716667D+00  0.817963D+01 -0.221444D+01
      4   0.164258D+02  0.211420D+01  0.806193D+01  0.296590D+00  0.150857D+02
      5   0.931944D+01 -0.207264D+02  0.691561D+00  0.234171D+02  0.107426D+00
      6   0.818433D+01 -0.362842D+00  0.260009D+00  0.419469D+00 -0.109926D+01
               221           222           223           224           225 
      1   0.103804D+02  0.603226D+00 -0.481450D+02  0.194646D+01  0.289876D+02
      2  -0.524656D+01 -0.606507D+00  0.287319D+02 -0.156321D+01 -0.239254D+02
      3  -0.513388D+01  0.328097D-02  0.194132D+02 -0.383257D+00 -0.506220D+01
      4  -0.182798D+01 -0.525780D+01  0.278674D+00 -0.105735D+02  0.823602D+00
      5  -0.501138D+01  0.123955D+01  0.433883D+02 -0.138110D+00 -0.704462D+02
      6  -0.548400D+00  0.424599D+01  0.159929D+01  0.401751D+01 -0.200144D+01
               226           227           228           229           230 
      1   0.245619D+02 -0.205027D+02  0.101254D+02 -0.436443D+02  0.303399D+02
      2  -0.116504D+02  0.969447D+01 -0.528749D+01  0.210191D+02 -0.949191D+01
      3  -0.129114D+02  0.108082D+02 -0.483793D+01  0.226252D+02 -0.208480D+02
      4  -0.211704D+02  0.235256D+02 -0.657197D+01  0.417696D+02 -0.650331D+02
      5   0.117167D+02 -0.731378D+01  0.111335D+02 -0.139018D+02  0.234123D+02
      6  -0.236819D+01  0.188294D+01 -0.877171D+00  0.431272D+01 -0.698409D+01
               231           232           233           234           235 
      1  -0.848437D+01  0.201923D+02 -0.725242D+01  0.134739D+02  0.592649D+02
      2   0.486310D+01 -0.113072D+02  0.458154D+01 -0.936371D+01 -0.286333D+02
      3   0.362127D+01 -0.888509D+01  0.267088D+01 -0.411016D+01 -0.306315D+02
      4   0.219991D+02 -0.109109D+02  0.236763D+02 -0.143115D+02  0.335869D+02
      5  -0.183789D+02  0.208873D+02 -0.155233D+02  0.128136D+02  0.247622D+02
      6   0.559302D+01 -0.240671D+01  0.604396D+01 -0.408911D+01  0.511401D+01
               236           237           238           239           240 
      1   0.279499D+02  0.197484D+02  0.583196D+02  0.303169D+02  0.135531D+02
      2  -0.126086D+02 -0.103969D+02 -0.261150D+02 -0.913806D+01 -0.663593D+01
      3  -0.153413D+02 -0.935147D+01 -0.322046D+02 -0.211789D+02 -0.691719D+01
      4   0.273272D+02  0.118530D+02  0.461709D+02  0.415927D+02  0.214188D+02
      5   0.122582D+02  0.197583D+02  0.217049D+02  0.219697D+02  0.200323D+02
      6   0.312483D+01  0.282877D+01  0.682152D+01  0.692552D+01  0.618924D+01
               241           242           243           244           245 
      1   0.373739D+02  0.117764D+02  0.212686D+02  0.570282D+00  0.339268D+01
      2  -0.201033D+02 -0.580740D+01 -0.137602D+02 -0.408334D+01 -0.162179D+01
      3  -0.172707D+02 -0.596897D+01 -0.750843D+01  0.351306D+01 -0.177089D+01
      4   0.188938D+02  0.234076D+02  0.161443D+02  0.629148D+01  0.558013D+01
      5   0.329658D+02  0.166577D+02  0.205054D+02 -0.123328D+02 -0.159370D+01
      6   0.579200D+01  0.639861D+01  0.575684D+01 -0.386296D+01 -0.378463D+00
               246           247           248           249           250 
      1  -0.703683D+01  0.376863D+01  0.346106D+00  0.209013D+01 -0.853758D+01
      2   0.542237D+01 -0.157782D+01 -0.116156D+00 -0.446788D+00  0.897220D+01
      3   0.161446D+01 -0.219081D+01 -0.229951D+00 -0.164335D+01 -0.434623D+00
      4  -0.263389D+01  0.943832D+01  0.476968D+01 -0.746305D+01 -0.481650D+01
      5   0.125915D+02 -0.227929D+01 -0.749005D+01  0.891975D+01  0.175856D+02
      6   0.232249D+01 -0.176683D+01 -0.393886D+01  0.707193D+01  0.340295D+01
               251           252           253           254           255 
      1   0.241170D+01 -0.546298D+01 -0.892512D+02 -0.147810D+02  0.794698D+01
      2   0.530469D+00 -0.131592D+02  0.445047D+02  0.172871D+02 -0.534874D+01
      3  -0.294217D+01  0.186222D+02  0.447465D+02 -0.250612D+01 -0.259824D+01
      4  -0.109340D+02  0.977920D+01 -0.226683D+02  0.251585D+02  0.837498D+01
      5   0.838025D+01 -0.422920D+02  0.100863D+02  0.502559D+01  0.100881D+02
      6   0.618757D+01 -0.122710D+02  0.824901D+01  0.374578D+01  0.405837D+01
               256           257           258           259           260 
      1   0.116137D+02  0.369844D+02  0.267734D+00  0.274596D+02  0.153477D+01
      2   0.216164D+01 -0.370162D+02  0.219691D+00 -0.944439D+01  0.427272D+01
      3  -0.137754D+02  0.318050D-01 -0.487425D+00 -0.180152D+02 -0.580749D+01
      4   0.366383D+02 -0.155563D+02  0.116104D+02  0.224713D+02  0.206969D+02
      5   0.117871D+02  0.145442D+02  0.131657D+02  0.158475D+02  0.113487D+02
      6   0.767995D+01  0.509476D+01  0.716158D+01  0.848725D+01  0.730469D+01
               261           262           263           264           265 
      1   0.133717D+02  0.472084D+01 -0.767390D+01 -0.163489D+01 -0.380002D+01
      2   0.617445D+01  0.368659D+01 -0.336866D+01 -0.297273D+00 -0.944494D+01
      3  -0.195462D+02 -0.840743D+01  0.110426D+02  0.193216D+01  0.132450D+02
      4   0.148418D+02 -0.153732D+02  0.227276D+02  0.481876D+01  0.287665D+02
      5  -0.276795D+02 -0.537531D+01  0.618457D+01  0.404541D+01  0.745060D+01
      6  -0.893029D+01  0.371081D+01 -0.437963D+01 -0.179151D+01 -0.604399D+01
               266           267           268           269           270 
      1  -0.119113D+02 -0.349877D+01  0.591295D+00 -0.121229D+00 -0.180891D+01
      2   0.417766D+02  0.585172D+01  0.285589D+01 -0.793516D+01  0.183170D+01
      3  -0.298654D+02 -0.235295D+01 -0.344719D+01  0.805639D+01 -0.227901D-01
      4  -0.704739D+02 -0.140302D+02 -0.478292D+01  0.113164D+02 -0.387461D+01
      5  -0.164104D+02 -0.121302D+02  0.210944D+01 -0.366589D+01 -0.355816D+01
      6   0.186407D+02  0.922217D+01 -0.123877D+01  0.418644D+01  0.239182D+01
               271           272           273           274           275 
      1   0.132664D+03  0.149475D+02 -0.398762D+01 -0.275907D+01  0.742248D+01
      2  -0.614565D+02 -0.294169D+01  0.158660D+01  0.475497D+01 -0.858788D-01
      3  -0.712072D+02 -0.120058D+02  0.240102D+01 -0.199590D+01 -0.733660D+01
      4   0.519589D+02  0.208812D+02  0.224006D+00  0.139239D+02  0.730670D+01
      5   0.441858D+01  0.158511D+01  0.127700D+02 -0.961703D+00 -0.179958D+01
      6  -0.494624D+00  0.138109D+01  0.402033D+01 -0.701143D-02 -0.262876D+00
               276           277           278           279           280 
      1   0.149521D+00 -0.174897D+02 -0.183189D+01  0.990173D+01  0.259074D+00
      2  -0.314816D+00  0.715283D+01 -0.773750D+00 -0.691048D+01  0.335617D+01
      3   0.165295D+00  0.103369D+02  0.260564D+01 -0.299125D+01 -0.361525D+01
      4  -0.203273D+01 -0.889191D+01 -0.590539D+01  0.290276D+01  0.408485D+01
      5  -0.116670D+01  0.142092D+02  0.836794D+00 -0.400864D+00 -0.231100D+01
      6   0.551406D-01  0.396709D+01  0.895359D+00 -0.184548D+00 -0.945041D+00
               281           282           283           284           285 
      1   0.153517D+02 -0.119549D+01  0.111280D+02 -0.339933D+02 -0.181491D+00
      2  -0.163514D+02  0.901466D+00 -0.514836D+01  0.548810D+02 -0.930836D+00
      3   0.999764D+00  0.294029D+00 -0.597968D+01 -0.208877D+02  0.111233D+01
      4  -0.854578D+01 -0.212074D+01  0.842649D+01  0.516772D+02 -0.493558D+00
      5  -0.229976D+00 -0.273022D+01  0.122980D+01 -0.310417D+01  0.553996D+01
      6  -0.156490D+01 -0.239722D+01 -0.210090D+00  0.412171D+01  0.643106D+01
               286           287           288           289           290 
      1  -0.532580D+01  0.176724D+01 -0.603927D+01  0.669253D+01  0.151615D+01
      2   0.156026D+01 -0.548213D+01  0.482046D+01 -0.617422D+01 -0.224920D+01
      3   0.376554D+01  0.371489D+01  0.121881D+01 -0.518308D+00  0.733042D+00
      4  -0.457820D+01 -0.967695D+01  0.363800D+01  0.308742D+00 -0.282261D+01
      5   0.576531D-01  0.490880D+01  0.448981D+00  0.399012D+01 -0.113112D+01
      6  -0.607291D+00  0.686982D+01 -0.398344D+00  0.419406D+00 -0.143377D+01
               291           292           293           294           295 
      1   0.609935D+01 -0.548038D+01 -0.620068D+01 -0.845536D+00  0.107573D+02
      2  -0.254772D+01  0.208112D+01  0.346100D+01  0.329669D+01 -0.665890D+01
      3  -0.355163D+01  0.339926D+01  0.273968D+01 -0.245115D+01 -0.409837D+01
      4   0.374996D+00 -0.350392D+01 -0.219888D+01  0.254151D+01  0.628128D+01
      5   0.848507D+00 -0.256150D+01  0.231684D+01 -0.547933D+01  0.102546D+02
      6  -0.111285D+01 -0.814489D+00  0.349770D+00  0.159198D+01  0.231707D+01
               296           297 
      1  -0.117294D+01 -0.120337D+02
      2   0.342841D+01 -0.133437D+02
      3  -0.225546D+01  0.253774D+02
      4   0.996582D+01  0.923402D+00
      5   0.201037D+01  0.451771D+02
      6   0.482432D+01  0.180034D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Sep 27 11:19:23 2021, MaxMem=  6442450944 cpu:           43902.6 elap:            5489.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.19704 -19.14130 -10.32760 -10.21400 -10.20291
 Alpha  occ. eigenvalues --  -10.19642 -10.19256 -10.19208 -10.19020 -10.19000
 Alpha  occ. eigenvalues --  -10.18931 -10.18635 -10.18508 -10.17647 -10.17254
 Alpha  occ. eigenvalues --   -1.10913  -1.01865  -0.86729  -0.82184  -0.79689
 Alpha  occ. eigenvalues --   -0.74623  -0.74308  -0.68410  -0.68110  -0.67088
 Alpha  occ. eigenvalues --   -0.61632  -0.60416  -0.57513  -0.56051  -0.52018
 Alpha  occ. eigenvalues --   -0.50811  -0.49056  -0.48095  -0.46459  -0.45514
 Alpha  occ. eigenvalues --   -0.44917  -0.44434  -0.43511  -0.42671  -0.42148
 Alpha  occ. eigenvalues --   -0.41304  -0.39549  -0.38838  -0.38498  -0.37275
 Alpha  occ. eigenvalues --   -0.37106  -0.36665  -0.35200  -0.34583  -0.33752
 Alpha  occ. eigenvalues --   -0.33648  -0.33097  -0.32795  -0.29236  -0.26240
 Alpha  occ. eigenvalues --   -0.24718
 Alpha virt. eigenvalues --   -0.02646  -0.02090   0.00269   0.00749   0.01858
 Alpha virt. eigenvalues --    0.02878   0.03553   0.04283   0.04829   0.05394
 Alpha virt. eigenvalues --    0.06442   0.06937   0.07987   0.08339   0.08725
 Alpha virt. eigenvalues --    0.09154   0.09619   0.09942   0.10750   0.11355
 Alpha virt. eigenvalues --    0.11522   0.12464   0.12745   0.12806   0.13427
 Alpha virt. eigenvalues --    0.13732   0.14140   0.14417   0.14674   0.15250
 Alpha virt. eigenvalues --    0.15579   0.15710   0.16726   0.17257   0.17575
 Alpha virt. eigenvalues --    0.17840   0.18360   0.18793   0.19923   0.20219
 Alpha virt. eigenvalues --    0.21079   0.21402   0.22119   0.22243   0.22779
 Alpha virt. eigenvalues --    0.23412   0.23911   0.24152   0.24596   0.25046
 Alpha virt. eigenvalues --    0.25378   0.25946   0.26906   0.26934   0.27860
 Alpha virt. eigenvalues --    0.28214   0.28610   0.28896   0.29609   0.30230
 Alpha virt. eigenvalues --    0.30372   0.30624   0.30970   0.31567   0.31807
 Alpha virt. eigenvalues --    0.32159   0.32237   0.32365   0.32990   0.33225
 Alpha virt. eigenvalues --    0.33811   0.34369   0.34716   0.34990   0.35155
 Alpha virt. eigenvalues --    0.35313   0.35551   0.35883   0.36393   0.36721
 Alpha virt. eigenvalues --    0.36995   0.37317   0.37633   0.37835   0.38198
 Alpha virt. eigenvalues --    0.38531   0.38637   0.39042   0.39203   0.39624
 Alpha virt. eigenvalues --    0.39993   0.40381   0.40560   0.41317   0.42117
 Alpha virt. eigenvalues --    0.42291   0.42767   0.43111   0.43389   0.43978
 Alpha virt. eigenvalues --    0.44236   0.44399   0.44898   0.44959   0.45555
 Alpha virt. eigenvalues --    0.45697   0.46197   0.46745   0.46911   0.47028
 Alpha virt. eigenvalues --    0.47566   0.47912   0.48495   0.48982   0.49182
 Alpha virt. eigenvalues --    0.50054   0.50220   0.50531   0.51019   0.51591
 Alpha virt. eigenvalues --    0.51755   0.52060   0.52269   0.52985   0.53439
 Alpha virt. eigenvalues --    0.53959   0.54351   0.54625   0.55101   0.55655
 Alpha virt. eigenvalues --    0.56132   0.56390   0.57284   0.57351   0.57776
 Alpha virt. eigenvalues --    0.58114   0.58506   0.58929   0.59196   0.60312
 Alpha virt. eigenvalues --    0.60400   0.61034   0.61579   0.62078   0.62351
 Alpha virt. eigenvalues --    0.62904   0.63089   0.63700   0.63927   0.64280
 Alpha virt. eigenvalues --    0.64823   0.65503   0.66871   0.67066   0.67662
 Alpha virt. eigenvalues --    0.68356   0.68873   0.69353   0.69696   0.69986
 Alpha virt. eigenvalues --    0.70645   0.71747   0.71980   0.72338   0.72747
 Alpha virt. eigenvalues --    0.73214   0.74681   0.74688   0.75650   0.76735
 Alpha virt. eigenvalues --    0.77067   0.78226   0.78462   0.78723   0.79845
 Alpha virt. eigenvalues --    0.80487   0.81227   0.81861   0.82575   0.83522
 Alpha virt. eigenvalues --    0.84287   0.84949   0.86377   0.86760   0.88787
 Alpha virt. eigenvalues --    0.89367   0.89759   0.90736   0.91654   0.92639
 Alpha virt. eigenvalues --    0.93632   0.94179   0.95067   0.97220   0.97541
 Alpha virt. eigenvalues --    0.98626   0.98996   0.99281   0.99490   1.00984
 Alpha virt. eigenvalues --    1.01526   1.01984   1.02489   1.02887   1.03992
 Alpha virt. eigenvalues --    1.04377   1.04660   1.05816   1.06355   1.06562
 Alpha virt. eigenvalues --    1.07469   1.08536   1.08929   1.10188   1.12013
 Alpha virt. eigenvalues --    1.13749   1.15001   1.16060   1.17291   1.17613
 Alpha virt. eigenvalues --    1.19109   1.19432   1.19606   1.21266   1.22181
 Alpha virt. eigenvalues --    1.23570   1.23872   1.25726   1.26419   1.26547
 Alpha virt. eigenvalues --    1.27176   1.28578   1.29124   1.30843   1.31864
 Alpha virt. eigenvalues --    1.32691   1.33092   1.35591   1.36082   1.36287
 Alpha virt. eigenvalues --    1.36942   1.39078   1.39567   1.40069   1.42294
 Alpha virt. eigenvalues --    1.43344   1.43726   1.45873   1.45976   1.47748
 Alpha virt. eigenvalues --    1.49177   1.51239   1.52650   1.54078   1.55835
 Alpha virt. eigenvalues --    1.56089   1.59720   1.60313   1.60594   1.61900
 Alpha virt. eigenvalues --    1.63587   1.64511   1.65809   1.67533   1.68504
 Alpha virt. eigenvalues --    1.68941   1.70362   1.71995   1.72225   1.74019
 Alpha virt. eigenvalues --    1.74741   1.75857   1.76112   1.76448   1.78855
 Alpha virt. eigenvalues --    1.79179   1.80279   1.81961   1.82699   1.83829
 Alpha virt. eigenvalues --    1.85059   1.85341   1.86263   1.88003   1.88253
 Alpha virt. eigenvalues --    1.89527   1.89842   1.90453   1.91642   1.92228
 Alpha virt. eigenvalues --    1.93306   1.94016   1.95289   1.96541   1.96811
 Alpha virt. eigenvalues --    1.98182   2.00670   2.01361   2.01964   2.02381
 Alpha virt. eigenvalues --    2.02836   2.05010   2.05282   2.06101   2.07454
 Alpha virt. eigenvalues --    2.08559   2.09055   2.09813   2.10366   2.11005
 Alpha virt. eigenvalues --    2.12659   2.13488   2.13923   2.15935   2.16794
 Alpha virt. eigenvalues --    2.18251   2.18631   2.19732   2.20944   2.21238
 Alpha virt. eigenvalues --    2.22227   2.23055   2.24469   2.26031   2.27448
 Alpha virt. eigenvalues --    2.28432   2.30535   2.31297   2.32485   2.34928
 Alpha virt. eigenvalues --    2.36192   2.38080   2.39855   2.41102   2.42946
 Alpha virt. eigenvalues --    2.43203   2.43890   2.45035   2.47820   2.48608
 Alpha virt. eigenvalues --    2.49903   2.51099   2.53791   2.55569   2.56589
 Alpha virt. eigenvalues --    2.57539   2.60044   2.61140   2.62318   2.64437
 Alpha virt. eigenvalues --    2.65327   2.66838   2.67144   2.68893   2.69545
 Alpha virt. eigenvalues --    2.70783   2.71305   2.72712   2.73560   2.80958
 Alpha virt. eigenvalues --    2.84790   2.86131   2.86637   2.89737   2.92923
 Alpha virt. eigenvalues --    2.94083   2.94754   2.96138   2.99591   3.00419
 Alpha virt. eigenvalues --    3.01663   3.03469   3.04762   3.05127   3.06414
 Alpha virt. eigenvalues --    3.07672   3.10651   3.12895   3.13847   3.15568
 Alpha virt. eigenvalues --    3.16851   3.17322   3.18819   3.21111   3.22416
 Alpha virt. eigenvalues --    3.23529   3.26298   3.27851   3.36437   3.38715
 Alpha virt. eigenvalues --    3.62934   3.66641   3.82297   3.94973
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    9.309805  -1.459626  -1.425406   0.652900   0.275666   0.115006
     2  C   -1.459626  14.286583   0.681743  -0.929858   0.878894  -2.251175
     3  C   -1.425406   0.681743   9.842092  -1.945674  -0.039417   0.234139
     4  C    0.652900  -0.929858  -1.945674  14.527947  -2.092323   1.122605
     5  C    0.275666   0.878894  -0.039417  -2.092323  10.692961  -1.856668
     6  C    0.115006  -2.251175   0.234139   1.122605  -1.856668  10.150582
     7  C   -1.208054   0.333092  -0.033257   0.177099   0.041590  -1.268630
     8  C    0.001536   0.025098  -0.001663   0.001501   0.009340   0.005362
     9  C    0.035729  -0.067961  -0.005327  -0.004653   0.004065  -0.012859
    10  C   -0.013702  -0.026067   0.000233   0.000015  -0.001444  -0.001922
    11  C   -0.022421   0.160683  -1.100034   0.457611  -1.316868   0.037699
    12  C    0.008495   0.006287  -0.257060   0.216180  -0.163910   0.002181
    13  O    0.006042   0.002098   0.029446  -0.091044   0.026750   0.001235
    14  O   -0.001911   0.000792   0.011270  -0.034690   0.009074  -0.001093
    15  H    0.520553  -1.940152  -0.942784   0.005444   0.192418   0.131473
    16  H   -0.698823  -0.098975   0.722648  -2.045028   0.087090   0.179427
    17  H    0.218792  -0.058671   0.120744  -2.116275   0.755687  -0.902288
    18  H    0.060138  -1.866003   0.218969  -0.017588  -1.048553   0.769830
    19  H   -0.085798  -0.182041   0.032954   0.007915   0.010802   0.082872
    20  H    0.134918  -0.069645  -0.002189  -0.012494  -0.016338   0.068630
    21  H   -0.055062  -0.016984   0.001197   0.000993   0.011117  -0.131802
    22  H    0.024259   0.009213  -0.006416  -0.004631   0.002617   0.035603
    23  H    0.006688  -0.031445   0.001163   0.000449  -0.000413  -0.000886
    24  H   -0.015894   0.012708   0.002397   0.000741   0.000136  -0.012271
    25  H    0.002706   0.003552  -0.000231  -0.000024   0.000090  -0.002393
    26  H   -0.003240  -0.001844   0.000108   0.000009  -0.000231   0.000781
    27  H    0.001630   0.005932  -0.000030  -0.000014  -0.000059   0.001671
    28  H    0.017338   0.000312   0.111920  -0.271768  -0.087570   0.022136
    29  C   -0.011545   0.006750  -0.051096  -0.006307  -0.036722   0.004221
    30  H   -0.000283  -0.000464  -0.002777   0.006421   0.000505  -0.000278
    31  H   -0.001189  -0.000191  -0.000263   0.003359  -0.017688   0.000253
    32  H    0.001040   0.002886  -0.001222  -0.074639   0.048910  -0.005091
    33  H    0.007110   0.001507  -0.021963  -0.020943  -0.012853   0.000401
               7          8          9         10         11         12
     1  C   -1.208054   0.001536   0.035729  -0.013702  -0.022421   0.008495
     2  C    0.333092   0.025098  -0.067961  -0.026067   0.160683   0.006287
     3  C   -0.033257  -0.001663  -0.005327   0.000233  -1.100034  -0.257060
     4  C    0.177099   0.001501  -0.004653   0.000015   0.457611   0.216180
     5  C    0.041590   0.009340   0.004065  -0.001444  -1.316868  -0.163910
     6  C   -1.268630   0.005362  -0.012859  -0.001922   0.037699   0.002181
     7  C    7.620803   0.114228  -0.043724  -0.007238  -0.001932  -0.000375
     8  C    0.114228   6.021919   0.403291   0.318149  -0.001213  -0.000150
     9  C   -0.043724   0.403291   4.084029  -0.044359   0.000139  -0.000041
    10  C   -0.007238   0.318149  -0.044359   4.259051   0.000013   0.000001
    11  C   -0.001932  -0.001213   0.000139   0.000013   7.978828   0.361416
    12  C   -0.000375  -0.000150  -0.000041   0.000001   0.361416   5.197900
    13  O   -0.000025   0.000062  -0.000001  -0.000001  -0.087586   0.121553
    14  O    0.000027   0.000088  -0.000155  -0.000001  -0.043805  -0.134816
    15  H   -0.461476   0.001417   0.033427  -0.004851  -0.001899   0.010402
    16  H    0.010624   0.000352  -0.001412   0.000035  -0.411646  -0.075972
    17  H    0.012770   0.003584  -0.000505  -0.000125  -0.541553  -0.087774
    18  H   -0.577758   0.009386   0.000078   0.005258   0.025391   0.003478
    19  H    0.055102   0.057532  -0.027430   0.016081   0.000075  -0.000001
    20  H   -0.105505   0.029857   0.021560  -0.097050  -0.000117  -0.000010
    21  H    0.148564   0.001173   0.008082  -0.060975  -0.000028  -0.000052
    22  H   -0.158119   0.148397   0.196981   0.009596  -0.000320   0.000165
    23  H   -0.041262   0.136784   0.139150  -0.010167   0.000044   0.000008
    24  H    0.071814   0.124078   0.095605  -0.010391   0.000024  -0.000013
    25  H    0.003119   0.201626  -0.012290   0.033235  -0.000000   0.000000
    26  H   -0.006700  -0.032293   0.009206   0.380938   0.000002  -0.000000
    27  H    0.012271   0.168571  -0.020289   0.105448  -0.000001   0.000000
    28  H    0.000097  -0.000080   0.000000   0.000000   0.083142  -0.223633
    29  C   -0.000170   0.000039  -0.000013  -0.000000   0.341627   0.027205
    30  H   -0.000001  -0.000004   0.000008   0.000000   0.014111   0.153753
    31  H    0.000001  -0.000001   0.000000   0.000000   0.191069  -0.016489
    32  H   -0.000020   0.000010  -0.000001  -0.000000   0.151574   0.014404
    33  H    0.000009  -0.000008  -0.000000   0.000000   0.129373  -0.002421
              13         14         15         16         17         18
     1  C    0.006042  -0.001911   0.520553  -0.698823   0.218792   0.060138
     2  C    0.002098   0.000792  -1.940152  -0.098975  -0.058671  -1.866003
     3  C    0.029446   0.011270  -0.942784   0.722648   0.120744   0.218969
     4  C   -0.091044  -0.034690   0.005444  -2.045028  -2.116275  -0.017588
     5  C    0.026750   0.009074   0.192418   0.087090   0.755687  -1.048553
     6  C    0.001235  -0.001093   0.131473   0.179427  -0.902288   0.769830
     7  C   -0.000025   0.000027  -0.461476   0.010624   0.012770  -0.577758
     8  C    0.000062   0.000088   0.001417   0.000352   0.003584   0.009386
     9  C   -0.000001  -0.000155   0.033427  -0.001412  -0.000505   0.000078
    10  C   -0.000001  -0.000001  -0.004851   0.000035  -0.000125   0.005258
    11  C   -0.087586  -0.043805  -0.001899  -0.411646  -0.541553   0.025391
    12  C    0.121553  -0.134816   0.010402  -0.075972  -0.087774   0.003478
    13  O    8.420868   0.043622  -0.001229   0.032864   0.009746  -0.000282
    14  O    0.043622   8.415574  -0.000840   0.004609  -0.003255  -0.000071
    15  H   -0.001229  -0.000840   3.999889  -1.044334  -0.029138   0.084659
    16  H    0.032864   0.004609  -1.044334   3.721509   0.080093  -0.026470
    17  H    0.009746  -0.003255  -0.029138   0.080093   3.954931  -1.126978
    18  H   -0.000282  -0.000071   0.084659  -0.026470  -1.126978   4.118460
    19  H   -0.000008  -0.000005  -0.050389   0.002267  -0.000227   0.026544
    20  H    0.000002   0.000016   0.026970  -0.000653  -0.003937   0.038865
    21  H    0.000003   0.000016  -0.015791   0.000686   0.002267  -0.101632
    22  H    0.000028   0.000153   0.018037   0.000389  -0.000002   0.007085
    23  H   -0.000000  -0.000013  -0.008334   0.000234  -0.000006   0.000301
    24  H   -0.000001  -0.000016  -0.007127   0.000151   0.000055  -0.001694
    25  H   -0.000000   0.000000   0.000715  -0.000001   0.000002  -0.000795
    26  H   -0.000000  -0.000000  -0.000312  -0.000000  -0.000004   0.001528
    27  H   -0.000000   0.000000   0.000293  -0.000002  -0.000006   0.001019
    28  H    0.014274  -0.067406  -0.000499   0.017511   0.027810  -0.001635
    29  C    0.007007   0.030294   0.001720   0.013218  -0.051337   0.002162
    30  H   -0.061947   0.106668   0.000009   0.000506   0.000408  -0.000012
    31  H   -0.002657   0.004847  -0.000056   0.003856  -0.006307   0.000051
    32  H    0.006764  -0.001455   0.000531  -0.012161   0.021559  -0.000755
    33  H    0.010938  -0.000315   0.001551  -0.015068  -0.003245   0.000197
              19         20         21         22         23         24
     1  C   -0.085798   0.134918  -0.055062   0.024259   0.006688  -0.015894
     2  C   -0.182041  -0.069645  -0.016984   0.009213  -0.031445   0.012708
     3  C    0.032954  -0.002189   0.001197  -0.006416   0.001163   0.002397
     4  C    0.007915  -0.012494   0.000993  -0.004631   0.000449   0.000741
     5  C    0.010802  -0.016338   0.011117   0.002617  -0.000413   0.000136
     6  C    0.082872   0.068630  -0.131802   0.035603  -0.000886  -0.012271
     7  C    0.055102  -0.105505   0.148564  -0.158119  -0.041262   0.071814
     8  C    0.057532   0.029857   0.001173   0.148397   0.136784   0.124078
     9  C   -0.027430   0.021560   0.008082   0.196981   0.139150   0.095605
    10  C    0.016081  -0.097050  -0.060975   0.009596  -0.010167  -0.010391
    11  C    0.000075  -0.000117  -0.000028  -0.000320   0.000044   0.000024
    12  C   -0.000001  -0.000010  -0.000052   0.000165   0.000008  -0.000013
    13  O   -0.000008   0.000002   0.000003   0.000028  -0.000000  -0.000001
    14  O   -0.000005   0.000016   0.000016   0.000153  -0.000013  -0.000016
    15  H   -0.050389   0.026970  -0.015791   0.018037  -0.008334  -0.007127
    16  H    0.002267  -0.000653   0.000686   0.000389   0.000234   0.000151
    17  H   -0.000227  -0.003937   0.002267  -0.000002  -0.000006   0.000055
    18  H    0.026544   0.038865  -0.101632   0.007085   0.000301  -0.001694
    19  H    1.269413  -0.335259  -0.036765  -0.010077   0.048254  -0.000453
    20  H   -0.335259   1.255692   0.099147   0.002116  -0.010726  -0.003793
    21  H   -0.036765   0.099147   1.482822  -0.048569  -0.019053   0.064705
    22  H   -0.010077   0.002116  -0.048569   1.029335  -0.008517  -0.157659
    23  H    0.048254  -0.010726  -0.019053  -0.008517   0.806881  -0.079051
    24  H   -0.000453  -0.003793   0.064705  -0.157659  -0.079051   1.117064
    25  H   -0.044254   0.009620  -0.000466   0.000975   0.014905  -0.027399
    26  H    0.002299  -0.035343  -0.016533  -0.004634  -0.001676   0.012479
    27  H    0.000989   0.015032   0.031033   0.006107  -0.015966   0.011358
    28  H    0.000013  -0.000004   0.000001  -0.000015   0.000000  -0.000000
    29  C   -0.000028   0.000036  -0.000002   0.000009  -0.000003  -0.000001
    30  H   -0.000000  -0.000000  -0.000000  -0.000015   0.000000   0.000001
    31  H    0.000000  -0.000000  -0.000000  -0.000000   0.000000   0.000000
    32  H   -0.000002  -0.000002   0.000000   0.000001  -0.000000  -0.000000
    33  H   -0.000004   0.000003  -0.000000   0.000000  -0.000000  -0.000000
              25         26         27         28         29         30
     1  C    0.002706  -0.003240   0.001630   0.017338  -0.011545  -0.000283
     2  C    0.003552  -0.001844   0.005932   0.000312   0.006750  -0.000464
     3  C   -0.000231   0.000108  -0.000030   0.111920  -0.051096  -0.002777
     4  C   -0.000024   0.000009  -0.000014  -0.271768  -0.006307   0.006421
     5  C    0.000090  -0.000231  -0.000059  -0.087570  -0.036722   0.000505
     6  C   -0.002393   0.000781   0.001671   0.022136   0.004221  -0.000278
     7  C    0.003119  -0.006700   0.012271   0.000097  -0.000170  -0.000001
     8  C    0.201626  -0.032293   0.168571  -0.000080   0.000039  -0.000004
     9  C   -0.012290   0.009206  -0.020289   0.000000  -0.000013   0.000008
    10  C    0.033235   0.380938   0.105448   0.000000  -0.000000   0.000000
    11  C   -0.000000   0.000002  -0.000001   0.083142   0.341627   0.014111
    12  C    0.000000  -0.000000   0.000000  -0.223633   0.027205   0.153753
    13  O   -0.000000  -0.000000  -0.000000   0.014274   0.007007  -0.061947
    14  O    0.000000  -0.000000   0.000000  -0.067406   0.030294   0.106668
    15  H    0.000715  -0.000312   0.000293  -0.000499   0.001720   0.000009
    16  H   -0.000001  -0.000000  -0.000002   0.017511   0.013218   0.000506
    17  H    0.000002  -0.000004  -0.000006   0.027810  -0.051337   0.000408
    18  H   -0.000795   0.001528   0.001019  -0.001635   0.002162  -0.000012
    19  H   -0.044254   0.002299   0.000989   0.000013  -0.000028  -0.000000
    20  H    0.009620  -0.035343   0.015032  -0.000004   0.000036  -0.000000
    21  H   -0.000466  -0.016533   0.031033   0.000001  -0.000002  -0.000000
    22  H    0.000975  -0.004634   0.006107  -0.000015   0.000009  -0.000015
    23  H    0.014905  -0.001676  -0.015966   0.000000  -0.000003   0.000000
    24  H   -0.027399   0.012479   0.011358  -0.000000  -0.000001   0.000001
    25  H    0.912008  -0.128181  -0.013646  -0.000000   0.000000   0.000000
    26  H   -0.128181   0.933886  -0.055921   0.000000  -0.000000   0.000000
    27  H   -0.013646  -0.055921   0.914867  -0.000000   0.000000   0.000000
    28  H   -0.000000   0.000000  -0.000000   1.590760  -0.256392  -0.007492
    29  C    0.000000  -0.000000   0.000000  -0.256392   4.201514   0.001379
    30  H    0.000000   0.000000   0.000000  -0.007492   0.001379   0.640786
    31  H    0.000000   0.000000   0.000000   0.003548   0.149028   0.000090
    32  H   -0.000000  -0.000000   0.000000   0.038448   0.102315  -0.000257
    33  H    0.000000   0.000000   0.000000  -0.005954   0.245042  -0.000179
              31         32         33
     1  C   -0.001189   0.001040   0.007110
     2  C   -0.000191   0.002886   0.001507
     3  C   -0.000263  -0.001222  -0.021963
     4  C    0.003359  -0.074639  -0.020943
     5  C   -0.017688   0.048910  -0.012853
     6  C    0.000253  -0.005091   0.000401
     7  C    0.000001  -0.000020   0.000009
     8  C   -0.000001   0.000010  -0.000008
     9  C    0.000000  -0.000001  -0.000000
    10  C    0.000000  -0.000000   0.000000
    11  C    0.191069   0.151574   0.129373
    12  C   -0.016489   0.014404  -0.002421
    13  O   -0.002657   0.006764   0.010938
    14  O    0.004847  -0.001455  -0.000315
    15  H   -0.000056   0.000531   0.001551
    16  H    0.003856  -0.012161  -0.015068
    17  H   -0.006307   0.021559  -0.003245
    18  H    0.000051  -0.000755   0.000197
    19  H    0.000000  -0.000002  -0.000004
    20  H   -0.000000  -0.000002   0.000003
    21  H   -0.000000   0.000000  -0.000000
    22  H   -0.000000   0.000001   0.000000
    23  H    0.000000  -0.000000  -0.000000
    24  H    0.000000  -0.000000  -0.000000
    25  H    0.000000  -0.000000   0.000000
    26  H    0.000000  -0.000000   0.000000
    27  H    0.000000   0.000000   0.000000
    28  H    0.003548   0.038448  -0.005954
    29  C    0.149028   0.102315   0.245042
    30  H    0.000090  -0.000257  -0.000179
    31  H    0.757633  -0.077606   0.005970
    32  H   -0.077606   0.895893  -0.008720
    33  H    0.005970  -0.008720   0.731878
 Mulliken charges:
               1
     1  C   -0.397396
     2  C   -1.417029
     3  C   -0.174214
     4  C   -1.513234
     5  C   -0.356653
     6  C   -0.518751
     7  C    1.313039
     8  C   -1.747966
     9  C    1.209669
    10  C    1.150241
    11  C   -0.403399
    12  C    0.839289
    13  O   -0.488520
    14  O   -0.337204
    15  H    0.479703
    16  H    0.552474
    17  H    0.723184
    18  H    0.396826
    19  H    0.159630
    20  H   -0.009400
    21  H   -0.348092
    22  H   -0.092093
    23  H    0.072656
    24  H   -0.197554
    25  H    0.047126
    26  H   -0.054323
    27  H   -0.170286
    28  H   -0.004863
    29  C    1.280047
    30  H    0.149064
    31  H    0.002740
    32  H   -0.102404
    33  H   -0.042306
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.082307
     2  C   -1.417029
     3  C    0.378260
     4  C   -1.513234
     5  C    0.366531
     6  C   -0.121924
     7  C    1.463269
     8  C   -2.096058
     9  C    0.992678
    10  C    0.972759
    11  C   -0.408263
    12  C    0.839289
    13  O   -0.488520
    14  O   -0.188140
    29  C    1.138077
 Electronic spatial extent (au):  <R**2>=           4607.9178
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              1.1522    Y=             -0.4865    Z=              1.3682  Tot=              1.8537
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -92.9061   YY=            -90.6087   ZZ=            -92.5321
   XY=              1.4717   XZ=             -5.8816   YZ=              0.8347
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.8905   YY=              1.4070   ZZ=             -0.5165
   XY=              1.4717   XZ=             -5.8816   YZ=              0.8347
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -13.4975  YYY=             32.1129  ZZZ=             -0.3041  XYY=            -22.3699
  XXY=             -4.9202  XXZ=             28.7581  XZZ=              3.4040  YZZ=             -2.0488
  YYZ=             13.6821  XYZ=            -11.5323
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -5137.7342 YYYY=           -711.5369 ZZZZ=           -481.4873 XXXY=             -5.1261
 XXXZ=           -106.2864 YYYX=           -103.4944 YYYZ=             30.9634 ZZZX=             -7.2624
 ZZZY=             -9.0653 XXYY=           -914.0792 XXZZ=           -946.5326 YYZZ=           -211.0845
 XXYZ=             50.2720 YYXZ=            -27.9713 ZZXY=              2.2917
 N-N= 9.730271857367D+02 E-N=-3.468780782389D+03  KE= 6.490928454433D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Sep 27 11:19:25 2021, MaxMem=  6442450944 cpu:               5.0 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 4.30043098D-01-1.59800220D-01 5.36355790D-01
 Polarizability= 2.07843605D+02-1.40721032D+00 1.30367258D+02
                 2.09507671D+00-7.18914189D+00 1.40807429D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.9925   -0.9910       -1.0862   -1.0852
 2      0.9925    0.9910        3.7566    3.7597      -42.8629  -42.8638
 3      1.0862    1.0852       37.5537   37.5541       -3.7582   -3.7597
 4     -3.7566   -3.7597       -0.0000    0.0000        1.0851    1.0852
 5      5.3092    5.3097       -1.0851   -1.0852       -0.9915   -0.9910
 6      3.7582    3.7597        0.9915    0.9910        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        2.9729    2.9729       -3.2556   -3.2556
 2    -11.2790  -11.2790       -0.0000    0.0000       -3.2556   -3.2556
 3    -11.2790  -11.2790        2.9729    2.9729        0.0000    0.0000
 4      2.9729    2.9729       11.2790   11.2790     -128.5913 -128.5913
 5      3.2556    3.2556      112.6622  112.6622      -11.2790  -11.2790
 6     15.9291   15.9291       -3.2556   -3.2556       -2.9729   -2.9729
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1819    0.0000        3.8870    3.9639        4.1728    4.3408
 2     -3.8533   -3.9639      -15.2106  -15.0387      171.3632  171.4551
 3     -4.2446   -4.3408     -150.2537 -150.2163       15.1142   15.0387
 4     15.1418   15.0387       -0.0116    0.0000       -4.2862   -4.3408
 5    -21.2695  -21.2388        4.2117    4.3408        3.9529    3.9639
 6    -15.0292  -15.0387       -4.0079   -3.9639        0.0113    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0557    0.0000      -83.7786  -83.7611        7.7339    7.6924
 2     83.4336   83.7611       -4.3121   -4.4099       -2.7181   -2.4347
 3     -7.7010   -7.6924       42.1912   42.1958        4.7594    4.4099
 4      4.3858    4.4099        0.0103    0.0000       -7.7216   -7.6924
 5    -40.1464  -39.7611        7.7106    7.6924      -83.7509  -83.7611
 6     -4.4732   -4.4099       83.7177   83.7611       -0.0401    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -20.4169  -20.2895        4.2362    4.3648      -48.5325  -48.5484
 2     -2.0670   -2.0947      -57.4952  -57.3952      -48.5204  -48.5484
 3     -2.0458   -2.0947        4.2961    4.3648      -65.0574  -65.1006
 4     61.6156   61.7601      -18.3139  -18.1948       18.6849   18.5648
 5    -16.6271  -16.5522       53.9688   53.7468       18.2698   18.1948
 6    -72.9066  -72.3116       16.5634   16.5522      -61.7390  -61.7601
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.2631   -0.0009    0.0007    0.0010    2.2520    3.7066
 Low frequencies ---   24.9151   36.5360   45.6681
 Diagonal vibrational polarizability:
       44.0726976      17.8066734       8.4641303
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     24.9146                36.5357                45.6673
 Red. masses --      3.6253                 5.9313                 4.0981
 Frc consts  --      0.0013                 0.0047                 0.0050
 IR Inten    --      0.1620                 0.8922                 0.8498
 RamAct Fr= 1--      0.3241                 0.9717                 1.5621
  Dep-P Fr= 1--      0.7455                 0.6833                 0.7379
  Dep-U Fr= 1--      0.8542                 0.8119                 0.8492
 Alpha2 Fr= 1--      0.0000                 0.0011                 0.0003
 Beta2  Fr= 1--      0.0461                 0.1315                 0.2211
 AlphaG Fr= 1--     -0.0002                 0.0052                -0.0035
 Gamma2 Fr= 1--      0.2198                 0.2055                -0.8384
 Delta2 Fr= 1--      0.1215                 0.5322                -1.0311
 Raman1 Fr= 1--       1.296                  3.887                  6.248
 ROA1   Fr= 1--      24.992                 36.762               -113.481
 CID1   Fr= 1--      19.278                  9.458                -18.161
 Raman2 Fr= 1--       0.554                  1.578                  2.653
 ROA2   Fr= 1--       4.304                  0.676                -11.872
 CID2   Fr= 1--       7.773                  0.428                 -4.475
 Raman3 Fr= 1--       1.107                  3.156                  5.306
 ROA3   Fr= 1--      24.992                 36.762               -113.481
 CID3   Fr= 1--      22.569                 11.650                -21.387
 RC180  Fr= 1--       0.708                  0.624                  0.698
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.10  -0.01    -0.01  -0.09  -0.04    -0.01  -0.13  -0.06
     2   6    -0.00   0.05  -0.05    -0.01  -0.06  -0.03     0.00  -0.04  -0.03
     3   6    -0.02   0.10   0.03    -0.01  -0.10  -0.04    -0.01  -0.13  -0.05
     4   6     0.01   0.05   0.02    -0.01  -0.07  -0.03     0.01  -0.03  -0.00
     5   6     0.03  -0.00  -0.02    -0.00  -0.06  -0.03     0.03   0.06   0.02
     6   6     0.03  -0.00  -0.05    -0.00  -0.05  -0.02     0.02   0.05   0.00
     7   6    -0.01   0.03  -0.10    -0.00   0.01  -0.00     0.00  -0.00  -0.05
     8   6     0.04  -0.08   0.03    -0.08   0.03   0.05    -0.02  -0.03   0.02
     9   6     0.05   0.00   0.22    -0.17   0.03   0.12    -0.15   0.00   0.21
    10   6     0.04  -0.10  -0.05    -0.06   0.14   0.03    -0.01   0.08  -0.13
    11   6     0.01   0.02   0.06    -0.00  -0.00  -0.01     0.01   0.02   0.03
    12   6    -0.05  -0.02  -0.05     0.08   0.03  -0.01     0.06   0.03  -0.01
    13   8    -0.12  -0.13  -0.06    -0.13  -0.01   0.07     0.25   0.07  -0.07
    14   8    -0.02   0.09  -0.12     0.44   0.10  -0.09    -0.13  -0.00   0.04
    15   1    -0.04   0.14  -0.01    -0.01  -0.10  -0.04    -0.03  -0.20  -0.09
    16   1    -0.04   0.13   0.06    -0.01  -0.12  -0.05    -0.03  -0.19  -0.06
    17   1     0.05  -0.04  -0.02    -0.00  -0.04  -0.02     0.04   0.13   0.05
    18   1     0.04  -0.05  -0.09    -0.00  -0.03  -0.02     0.04   0.12   0.03
    19   1    -0.03   0.16  -0.10     0.02   0.06   0.00    -0.01   0.07  -0.05
    20   1    -0.02  -0.03  -0.23     0.04   0.02  -0.03     0.03  -0.02  -0.11
    21   1     0.08  -0.21   0.03    -0.07  -0.04   0.05     0.07  -0.17   0.04
    22   1     0.06   0.01   0.28    -0.18  -0.05   0.14    -0.15  -0.08   0.33
    23   1     0.01   0.14   0.23    -0.19   0.10   0.12    -0.26   0.13   0.19
    24   1     0.08  -0.08   0.31    -0.22   0.04   0.15    -0.15  -0.02   0.25
    25   1    -0.00   0.04  -0.06    -0.07   0.22   0.04    -0.10   0.24  -0.15
    26   1     0.03  -0.16  -0.19     0.00   0.14  -0.02     0.08   0.05  -0.28
    27   1     0.07  -0.18   0.03    -0.12   0.15   0.08    -0.02   0.05  -0.07
    28   1     0.05   0.10   0.08     0.01   0.02  -0.01     0.03   0.05   0.03
    29   6     0.03  -0.08   0.15    -0.07   0.03   0.01    -0.04   0.03   0.06
    30   1    -0.06   0.06  -0.19     0.47   0.11  -0.09    -0.07   0.01   0.01
    31   1     0.03  -0.10   0.17    -0.07   0.11   0.02    -0.03   0.06   0.09
    32   1     0.07  -0.05   0.24    -0.14   0.01   0.03    -0.06   0.02   0.07
    33   1     0.01  -0.16   0.13    -0.07   0.00   0.01    -0.06   0.01   0.05
                      4                      5                      6
                      A                      A                      A
 Frequencies --     54.0153                67.5112               108.3575
 Red. masses --      4.0872                 3.0139                 4.7885
 Frc consts  --      0.0070                 0.0081                 0.0331
 IR Inten    --      0.3691                 0.1498                 0.0980
 RamAct Fr= 1--      4.5887                 0.1519                 2.5320
  Dep-P Fr= 1--      0.7485                 0.7495                 0.7320
  Dep-U Fr= 1--      0.8562                 0.8568                 0.8453
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0008
 Beta2  Fr= 1--      0.6548                 0.0217                 0.3567
 AlphaG Fr= 1--      0.0003                 0.0000                -0.0011
 Gamma2 Fr= 1--      0.3927                 0.6027                -0.6111
 Delta2 Fr= 1--      0.1157                 0.2820                -0.0639
 Raman1 Fr= 1--      18.355                  0.607                 10.128
 ROA1   Fr= 1--      41.400                 66.882                -60.713
 CID1   Fr= 1--       2.256                110.106                 -5.995
 Raman2 Fr= 1--       7.857                  0.260                  4.280
 ROA2   Fr= 1--       8.499                 12.208                -14.156
 CID2   Fr= 1--       1.082                 46.911                 -3.307
 Raman3 Fr= 1--      15.715                  0.520                  8.561
 ROA3   Fr= 1--      41.400                 66.882                -60.713
 CID3   Fr= 1--       2.634                128.502                 -7.092
 RC180  Fr= 1--       0.712                  0.714                  0.691
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.11  -0.08    -0.04  -0.03  -0.10    -0.09   0.10   0.07
     2   6    -0.01   0.07  -0.01    -0.01   0.01  -0.11    -0.07   0.13   0.07
     3   6    -0.03  -0.14  -0.09    -0.04  -0.05  -0.05    -0.09  -0.03   0.04
     4   6    -0.01   0.01  -0.04     0.00  -0.02  -0.02    -0.09  -0.12   0.02
     5   6     0.01   0.22   0.04     0.04  -0.00  -0.05    -0.07  -0.09   0.02
     6   6     0.01   0.25   0.05     0.03   0.01  -0.09    -0.06   0.04   0.05
     7   6    -0.01   0.03  -0.02    -0.01   0.06  -0.11    -0.07   0.13   0.02
     8   6     0.05  -0.04   0.02    -0.06   0.02   0.01     0.05   0.07  -0.01
     9   6     0.11   0.00   0.09     0.07   0.03  -0.05     0.16   0.11   0.01
    10   6     0.04  -0.11   0.00    -0.05  -0.03   0.26     0.03  -0.09  -0.10
    11   6    -0.02  -0.04  -0.05     0.01   0.00   0.05    -0.09  -0.10   0.00
    12   6    -0.05  -0.03   0.03     0.03   0.00   0.02     0.08  -0.05  -0.03
    13   8    -0.14  -0.00   0.08     0.08  -0.00   0.00     0.21  -0.01  -0.07
    14   8     0.04  -0.07   0.05    -0.02   0.01   0.03     0.14  -0.05  -0.04
    15   1    -0.03  -0.24  -0.12    -0.08  -0.04  -0.11    -0.09   0.16   0.09
    16   1    -0.04  -0.29  -0.15    -0.07  -0.07  -0.04    -0.11  -0.04   0.05
    17   1     0.02   0.35   0.08     0.08   0.02  -0.02    -0.07  -0.14   0.01
    18   1     0.02   0.40   0.11     0.06   0.04  -0.10    -0.05   0.06   0.04
    19   1    -0.02   0.07  -0.03     0.01   0.15  -0.10    -0.12   0.14   0.01
    20   1    -0.04  -0.00  -0.08     0.01   0.03  -0.18    -0.09   0.11  -0.03
    21   1     0.06  -0.07   0.02    -0.23   0.03  -0.03     0.11   0.09   0.01
    22   1     0.11   0.03   0.09     0.05   0.05  -0.26     0.18   0.20   0.04
    23   1     0.12   0.04   0.09     0.28   0.04  -0.00     0.15   0.10   0.01
    24   1     0.14  -0.04   0.12    -0.02   0.02   0.06     0.25   0.06   0.01
    25   1     0.04  -0.08  -0.00     0.13  -0.07   0.31    -0.04  -0.14  -0.12
    26   1     0.00  -0.14  -0.04    -0.15  -0.03   0.34    -0.04  -0.11  -0.10
    27   1     0.09  -0.16   0.03    -0.11  -0.04   0.33     0.14  -0.13  -0.15
    28   1    -0.02  -0.10  -0.06     0.07   0.04   0.07    -0.12  -0.07   0.00
    29   6     0.00  -0.00  -0.11    -0.06  -0.02   0.13    -0.15  -0.04  -0.00
    30   1     0.02  -0.06   0.10     0.00   0.01   0.01     0.30  -0.01  -0.07
    31   1     0.00  -0.04  -0.10    -0.04   0.01   0.20    -0.15   0.05  -0.03
    32   1     0.03  -0.01  -0.17    -0.06  -0.02   0.15    -0.25  -0.07   0.01
    33   1    -0.01   0.06  -0.09    -0.11  -0.06   0.11    -0.11  -0.07  -0.00
                      7                      8                      9
                      A                      A                      A
 Frequencies --    160.2674               198.0163               223.3358
 Red. masses --      3.8315                 2.8954                 1.0642
 Frc consts  --      0.0580                 0.0669                 0.0313
 IR Inten    --      0.1028                 0.5314                 0.1618
 RamAct Fr= 1--      1.3242                 0.3422                 0.1026
  Dep-P Fr= 1--      0.2165                 0.5472                 0.7500
  Dep-U Fr= 1--      0.3559                 0.7073                 0.8571
 Alpha2 Fr= 1--      0.0172                 0.0013                 0.0000
 Beta2  Fr= 1--      0.0786                 0.0403                 0.0147
 AlphaG Fr= 1--      0.0057                -0.0018                -0.0000
 Gamma2 Fr= 1--      0.1392                 0.5004                 0.1196
 Delta2 Fr= 1--     -0.0259                 0.2790                 0.0585
 Raman1 Fr= 1--       5.297                  1.369                  0.410
 ROA1   Fr= 1--      12.539                 56.970                 13.356
 CID1   Fr= 1--       2.367                 41.616                 32.537
 Raman2 Fr= 1--       0.943                  0.484                  0.176
 ROA2   Fr= 1--       3.549                  9.779                  2.404
 CID2   Fr= 1--       3.764                 20.199                 13.663
 Raman3 Fr= 1--       1.885                  0.968                  0.352
 ROA3   Fr= 1--      12.539                 56.970                 13.356
 CID3   Fr= 1--       6.651                 58.837                 37.961
 RC180  Fr= 1--      -0.288                  0.415                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.07   0.02     0.04   0.11  -0.03     0.01   0.02  -0.00
     2   6    -0.06   0.01  -0.03    -0.01   0.05  -0.01     0.00   0.01  -0.01
     3   6    -0.06   0.10   0.10     0.03   0.11  -0.08     0.00   0.01  -0.00
     4   6     0.01   0.07   0.12    -0.00   0.06  -0.11     0.00  -0.00  -0.01
     5   6     0.03   0.10   0.10    -0.04   0.09  -0.07     0.00   0.01  -0.01
     6   6     0.02   0.07   0.02    -0.04   0.09  -0.02     0.00   0.02  -0.00
     7   6    -0.08  -0.03  -0.11    -0.00  -0.07   0.09     0.01  -0.01   0.00
     8   6    -0.11  -0.06  -0.04    -0.01  -0.04   0.04     0.00  -0.01  -0.00
     9   6    -0.11  -0.05  -0.03    -0.08  -0.09  -0.02    -0.01  -0.02  -0.01
    10   6    -0.11  -0.05   0.04    -0.01  -0.01   0.02     0.01   0.01   0.02
    11   6     0.00  -0.04   0.03     0.01  -0.03  -0.03     0.00  -0.00  -0.01
    12   6     0.05  -0.04  -0.00     0.02  -0.03  -0.01     0.00  -0.00  -0.00
    13   8     0.12  -0.03  -0.03     0.06   0.03   0.01    -0.01   0.01   0.01
    14   8     0.10  -0.02  -0.02     0.07  -0.09   0.03    -0.00  -0.02   0.01
    15   1    -0.11   0.06   0.00     0.08   0.13  -0.00     0.00   0.03  -0.00
    16   1    -0.10   0.11   0.14     0.05   0.13  -0.09     0.00   0.01  -0.00
    17   1     0.07   0.12   0.12    -0.08   0.10  -0.09     0.01   0.02  -0.00
    18   1     0.07   0.08  -0.01    -0.07   0.09   0.00     0.01   0.03  -0.00
    19   1    -0.11   0.04  -0.11     0.08  -0.17   0.10     0.01  -0.02   0.00
    20   1    -0.07  -0.05  -0.17    -0.10  -0.06   0.20    -0.01  -0.01   0.01
    21   1    -0.17  -0.09  -0.06     0.01  -0.00   0.04    -0.00  -0.01  -0.00
    22   1    -0.12  -0.08  -0.08    -0.06  -0.05   0.17     0.00   0.01   0.08
    23   1    -0.06  -0.01  -0.01    -0.29  -0.20  -0.08    -0.11  -0.07  -0.04
    24   1    -0.16  -0.05   0.03     0.04  -0.04  -0.21     0.05  -0.01  -0.09
    25   1    -0.04  -0.01   0.06    -0.02   0.01   0.01     0.04   0.13   0.03
    26   1    -0.14  -0.06   0.03     0.01  -0.01  -0.00     0.00  -0.04  -0.09
    27   1    -0.14  -0.07   0.11    -0.02  -0.00   0.02    -0.01  -0.05   0.12
    28   1    -0.09  -0.09  -0.00     0.12   0.01  -0.00    -0.00   0.01  -0.01
    29   6     0.21  -0.05  -0.13    -0.05  -0.13   0.13    -0.01  -0.01   0.01
    30   1     0.19  -0.00  -0.04     0.14  -0.06   0.08    -0.01  -0.02   0.03
    31   1     0.18  -0.18  -0.28    -0.01  -0.29   0.39    -0.07   0.38  -0.35
    32   1     0.29  -0.03  -0.14     0.14  -0.07   0.05    -0.39  -0.08   0.42
    33   1     0.34   0.02  -0.09    -0.33  -0.11   0.09     0.41  -0.36  -0.01
                     10                     11                     12
                      A                      A                      A
 Frequencies --    229.2851               250.0408               255.1630
 Red. masses --      1.0897                 1.5616                 1.7810
 Frc consts  --      0.0338                 0.0575                 0.0683
 IR Inten    --      0.2137                 0.1212                 0.9318
 RamAct Fr= 1--      0.0644                 1.4174                 0.4999
  Dep-P Fr= 1--      0.7276                 0.4263                 0.6967
  Dep-U Fr= 1--      0.8423                 0.5978                 0.8212
 Alpha2 Fr= 1--      0.0000                 0.0095                 0.0005
 Beta2  Fr= 1--      0.0090                 0.1412                 0.0684
 AlphaG Fr= 1--      0.0001                -0.0320                -0.0020
 Gamma2 Fr= 1--     -0.0658                -0.8640                 0.4790
 Delta2 Fr= 1--      0.0173                 0.0996                 0.1224
 Raman1 Fr= 1--       0.258                  5.670                  2.000
 ROA1   Fr= 1--      -5.768                -79.760                 49.897
 CID1   Fr= 1--     -22.383                -14.068                 24.952
 Raman2 Fr= 1--       0.109                  1.695                  0.821
 ROA2   Fr= 1--      -1.718                -21.534                 10.516
 CID2   Fr= 1--     -15.829                -12.708                 12.806
 Raman3 Fr= 1--       0.217                  3.389                  1.642
 ROA3   Fr= 1--      -5.768                -79.760                 49.897
 CID3   Fr= 1--     -26.572                -23.535                 30.383
 RC180  Fr= 1--       0.685                  0.196                  0.642
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.01    -0.01  -0.05  -0.03    -0.00  -0.05   0.00
     2   6     0.00   0.00   0.00    -0.02  -0.01  -0.01    -0.02  -0.04   0.03
     3   6    -0.01  -0.01   0.02    -0.01  -0.04  -0.03    -0.00  -0.01  -0.02
     4   6    -0.00  -0.01   0.02     0.01   0.01  -0.00    -0.01   0.03  -0.02
     5   6     0.01  -0.01   0.01    -0.01  -0.03  -0.02    -0.05  -0.01  -0.01
     6   6     0.01  -0.00   0.00    -0.01  -0.05  -0.02    -0.05  -0.05   0.01
     7   6     0.00   0.00  -0.01    -0.02   0.05   0.03    -0.02   0.00   0.03
     8   6     0.01  -0.00  -0.01    -0.03   0.05   0.03    -0.01   0.03  -0.01
     9   6     0.02  -0.01  -0.03     0.01   0.07   0.02     0.06   0.05  -0.00
    10   6     0.01   0.02   0.03    -0.05  -0.06  -0.00    -0.02   0.01  -0.04
    11   6    -0.01  -0.00   0.01     0.02   0.03   0.00    -0.01   0.03  -0.03
    12   6    -0.00  -0.00   0.00     0.00   0.03   0.00    -0.02   0.03  -0.03
    13   8    -0.00  -0.02  -0.00    -0.00   0.04   0.01    -0.01   0.11   0.00
    14   8    -0.01   0.02  -0.01    -0.00   0.02   0.01     0.02  -0.03   0.02
    15   1    -0.02  -0.00   0.00    -0.01  -0.08  -0.04     0.02  -0.08   0.00
    16   1    -0.01  -0.02   0.02    -0.02  -0.06  -0.03     0.02  -0.01  -0.04
    17   1     0.02  -0.02   0.01    -0.01  -0.03  -0.02    -0.08   0.00  -0.02
    18   1     0.01  -0.00  -0.00    -0.01  -0.06  -0.03    -0.07  -0.07   0.02
    19   1    -0.00  -0.01  -0.01     0.00   0.06   0.03    -0.03  -0.04   0.03
    20   1    -0.00   0.00  -0.01    -0.00   0.06   0.03     0.00   0.03   0.07
    21   1    -0.01   0.00  -0.01    -0.02   0.08   0.03    -0.00   0.04  -0.01
    22   1     0.06   0.11   0.20     0.09   0.28   0.42     0.01  -0.02  -0.31
    23   1    -0.23  -0.13  -0.10    -0.40  -0.11  -0.09     0.38   0.17   0.08
    24   1     0.22  -0.01  -0.23     0.38   0.03  -0.29    -0.14   0.03   0.23
    25   1     0.11   0.49   0.07    -0.10  -0.27  -0.02    -0.00   0.34  -0.03
    26   1    -0.04  -0.17  -0.37    -0.11  -0.02   0.14    -0.05  -0.14  -0.35
    27   1    -0.03  -0.23   0.44     0.04  -0.02  -0.16     0.00  -0.18   0.23
    28   1    -0.02  -0.02   0.01     0.02   0.04   0.01    -0.00   0.07  -0.02
    29   6    -0.01   0.03  -0.02     0.11  -0.04   0.01     0.10  -0.11   0.05
    30   1    -0.01   0.01  -0.03    -0.01   0.02   0.02     0.05  -0.00   0.07
    31   1    -0.00  -0.06   0.07     0.10  -0.11  -0.05     0.09  -0.21   0.01
    32   1     0.07   0.03  -0.15     0.17  -0.01   0.09     0.20  -0.05   0.17
    33   1    -0.12   0.15  -0.01     0.16  -0.09   0.01     0.11  -0.22   0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    298.2527               321.6383               348.6184
 Red. masses --      2.7376                 3.4700                 3.3408
 Frc consts  --      0.1435                 0.2115                 0.2392
 IR Inten    --      0.9187                 0.3598                 0.9915
 RamAct Fr= 1--      1.2471                 0.3009                 2.3754
  Dep-P Fr= 1--      0.0642                 0.6468                 0.6617
  Dep-U Fr= 1--      0.1206                 0.7855                 0.7964
 Alpha2 Fr= 1--      0.0238                 0.0006                 0.0037
 Beta2  Fr= 1--      0.0251                 0.0394                 0.3153
 AlphaG Fr= 1--      0.0212                 0.0005                -0.0015
 Gamma2 Fr= 1--     -0.1058                 0.7352                 0.5007
 Delta2 Fr= 1--     -0.2171                 0.3790                -0.4548
 Raman1 Fr= 1--       4.989                  1.204                  9.501
 ROA1   Fr= 1--     -17.099                 82.704                 33.515
 CID1   Fr= 1--      -3.428                 68.718                  3.527
 Raman2 Fr= 1--       0.301                  0.473                  3.784
 ROA2   Fr= 1--      -0.802                 14.612                 15.655
 CID2   Fr= 1--      -2.664                 30.912                  4.138
 Raman3 Fr= 1--       0.602                  0.945                  7.567
 ROA3   Fr= 1--     -17.099                 82.704                 33.515
 CID3   Fr= 1--     -28.414                 87.479                  4.429
 RC180  Fr= 1--      -0.759                  0.571                  0.593
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.02   0.03    -0.09  -0.00  -0.10    -0.02   0.09   0.00
     2   6     0.01  -0.01  -0.00    -0.06   0.05  -0.08     0.01   0.19   0.02
     3   6    -0.05  -0.02   0.06    -0.11  -0.01  -0.06    -0.03  -0.14  -0.02
     4   6    -0.06  -0.01   0.06    -0.07   0.03  -0.02     0.01  -0.14  -0.00
     5   6    -0.02  -0.01   0.03    -0.06  -0.00  -0.07     0.03  -0.15  -0.02
     6   6    -0.01  -0.01   0.00    -0.08   0.00  -0.11     0.05   0.08  -0.00
     7   6     0.04  -0.01  -0.11    -0.00  -0.05   0.13     0.00   0.09   0.03
     8   6     0.09  -0.07  -0.04     0.07  -0.03   0.07     0.06  -0.00   0.06
     9   6     0.04  -0.07   0.01     0.08  -0.06   0.01    -0.14  -0.12  -0.05
    10   6     0.14   0.14   0.07     0.10   0.12  -0.01     0.04  -0.08   0.01
    11   6    -0.09   0.00  -0.03    -0.04  -0.01   0.10     0.02   0.02  -0.00
    12   6    -0.05   0.04  -0.06    -0.01  -0.02   0.11     0.02   0.06  -0.01
    13   8    -0.03   0.15  -0.02     0.08  -0.12   0.04    -0.04   0.09   0.02
    14   8     0.01  -0.04  -0.01     0.00   0.12   0.02    -0.04   0.07  -0.01
    15   1    -0.10  -0.01   0.01    -0.13  -0.03  -0.12    -0.05   0.13   0.00
    16   1    -0.05  -0.02   0.06    -0.13  -0.04  -0.05    -0.07  -0.21  -0.02
    17   1     0.02  -0.02   0.05    -0.04  -0.04  -0.07     0.06  -0.23  -0.04
    18   1    -0.01  -0.01   0.00    -0.07  -0.03  -0.13     0.09   0.11  -0.02
    19   1    -0.06   0.12  -0.13     0.16  -0.23   0.16     0.01   0.14   0.04
    20   1     0.05  -0.07  -0.26    -0.16  -0.04   0.32    -0.10   0.02  -0.04
    21   1     0.06  -0.12  -0.04     0.12   0.01   0.09     0.08   0.02   0.07
    22   1     0.07  -0.03   0.19     0.07  -0.07  -0.08    -0.20  -0.39  -0.17
    23   1    -0.15  -0.11  -0.04     0.16  -0.10   0.03    -0.08  -0.17  -0.04
    24   1     0.17  -0.07  -0.12     0.03  -0.04   0.02    -0.41   0.07  -0.08
    25   1     0.22   0.00   0.09     0.03   0.15  -0.02     0.02  -0.06   0.00
    26   1     0.31   0.29   0.29     0.27   0.17  -0.00    -0.04  -0.14  -0.06
    27   1    -0.07   0.36  -0.05     0.00   0.21  -0.05     0.14  -0.17   0.05
    28   1    -0.15   0.06  -0.03    -0.01  -0.10   0.08    -0.01   0.05  -0.00
    29   6    -0.00  -0.10   0.01     0.10   0.01  -0.04     0.08  -0.03   0.00
    30   1     0.10   0.00   0.05     0.07   0.10  -0.12    -0.13   0.04  -0.02
    31   1    -0.00  -0.22   0.02     0.07  -0.06  -0.23     0.07  -0.14  -0.01
    32   1     0.12  -0.05   0.05     0.14   0.02  -0.03     0.18   0.01   0.02
    33   1    -0.04  -0.14  -0.01     0.28   0.06   0.00     0.08  -0.04   0.00
                     16                     17                     18
                      A                      A                      A
 Frequencies --    386.8639               410.7315               419.5371
 Red. masses --      2.8826                 2.6166                 2.9500
 Frc consts  --      0.2542                 0.2601                 0.3059
 IR Inten    --      0.6359                 0.1174                 0.0142
 RamAct Fr= 1--      1.1076                 4.3514                 0.2984
  Dep-P Fr= 1--      0.1738                 0.1227                 0.1645
  Dep-U Fr= 1--      0.2962                 0.2186                 0.2825
 Alpha2 Fr= 1--      0.0161                 0.0720                 0.0044
 Beta2  Fr= 1--      0.0547                 0.1585                 0.0140
 AlphaG Fr= 1--      0.0022                -0.0380                -0.0435
 Gamma2 Fr= 1--      0.2887                -0.2964                -0.8905
 Delta2 Fr= 1--      0.1157                 0.0846                -0.0673
 Raman1 Fr= 1--       4.431                 17.406                  1.193
 ROA1   Fr= 1--      31.414                -25.748                -87.638
 CID1   Fr= 1--       7.090                 -1.479                -73.435
 Raman2 Fr= 1--       0.656                  1.902                  0.169
 ROA2   Fr= 1--       6.003                 -7.791                -20.833
 CID2   Fr= 1--       9.149                 -4.096               -123.595
 Raman3 Fr= 1--       1.312                  3.804                  0.337
 ROA3   Fr= 1--      31.414                -25.748                -87.638
 CID3   Fr= 1--      23.940                 -6.768               -259.960
 RC180  Fr= 1--      -0.408                 -0.563                 -0.435
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.03   0.07     0.01   0.10   0.02     0.02   0.18   0.08
     2   6    -0.02   0.00   0.14    -0.04   0.05   0.02     0.00  -0.01   0.02
     3   6     0.05   0.02  -0.10     0.01  -0.08  -0.03    -0.02  -0.18  -0.08
     4   6    -0.01   0.01  -0.13     0.05  -0.09  -0.02    -0.01   0.01  -0.01
     5   6    -0.12  -0.03  -0.08     0.03  -0.02   0.03    -0.00   0.20   0.06
     6   6    -0.09   0.01   0.12     0.02   0.02   0.03    -0.03  -0.20  -0.06
     7   6    -0.05   0.06  -0.12    -0.08  -0.04  -0.01     0.01   0.01  -0.01
     8   6     0.01  -0.04  -0.05    -0.12  -0.10   0.06     0.03   0.02  -0.03
     9   6    -0.01  -0.03  -0.02     0.13  -0.07   0.01    -0.03   0.01  -0.00
    10   6     0.03   0.02   0.02    -0.13   0.11  -0.04     0.03  -0.02   0.01
    11   6     0.03   0.01   0.01     0.09   0.02  -0.02    -0.01  -0.00   0.01
    12   6     0.02  -0.01   0.08     0.06   0.02  -0.04    -0.01  -0.00   0.01
    13   8     0.04  -0.09   0.04    -0.03   0.02   0.00     0.01  -0.01   0.00
    14   8    -0.01   0.09   0.03    -0.01  -0.01  -0.01     0.00   0.01   0.01
    15   1     0.18  -0.07   0.12     0.04   0.17   0.05     0.05   0.39   0.16
    16   1     0.13   0.04  -0.16    -0.03  -0.13  -0.03    -0.02  -0.40  -0.17
    17   1    -0.25  -0.04  -0.15     0.01   0.02   0.03     0.01   0.42   0.13
    18   1    -0.18   0.03   0.21     0.06   0.02  -0.00    -0.08  -0.43  -0.13
    19   1    -0.32   0.34  -0.17    -0.08   0.03  -0.01    -0.02   0.00  -0.02
    20   1     0.09  -0.02  -0.46    -0.12  -0.09  -0.07     0.02   0.01  -0.02
    21   1    -0.01  -0.08  -0.06    -0.14  -0.11   0.06     0.02   0.01  -0.03
    22   1    -0.01  -0.04   0.03     0.17   0.23  -0.09    -0.04  -0.06   0.03
    23   1    -0.06  -0.02  -0.03     0.25  -0.21   0.02    -0.06   0.06  -0.01
    24   1     0.00  -0.03  -0.04     0.32  -0.18  -0.02    -0.08   0.03   0.01
    25   1     0.11   0.02   0.05    -0.28   0.18  -0.09     0.09  -0.04   0.03
    26   1     0.05   0.05   0.07     0.15   0.19  -0.07    -0.03  -0.03   0.03
    27   1    -0.06   0.06   0.05    -0.24   0.26  -0.14     0.04  -0.05   0.04
    28   1     0.13  -0.06   0.01     0.07   0.06  -0.02     0.00  -0.02   0.00
    29   6     0.05  -0.00   0.00     0.03   0.03   0.02     0.00  -0.00  -0.00
    30   1    -0.03   0.05  -0.07    -0.18  -0.05   0.05     0.03   0.01  -0.01
    31   1     0.04  -0.02  -0.05     0.04   0.06   0.08     0.00  -0.01  -0.02
    32   1     0.07   0.01   0.05     0.02   0.03   0.01     0.01  -0.00  -0.00
    33   1     0.11  -0.03   0.01    -0.02   0.02   0.01     0.01  -0.00  -0.00
                     19                     20                     21
                      A                      A                      A
 Frequencies --    424.9031               452.1944               551.3813
 Red. masses --      2.2179                 3.7049                 2.4558
 Frc consts  --      0.2359                 0.4464                 0.4399
 IR Inten    --      0.9734                 6.7223                11.9599
 RamAct Fr= 1--      0.8960                 2.1584                 1.7511
  Dep-P Fr= 1--      0.5792                 0.1367                 0.3289
  Dep-U Fr= 1--      0.7335                 0.2405                 0.4950
 Alpha2 Fr= 1--      0.0029                 0.0345                 0.0164
 Beta2  Fr= 1--      0.1095                 0.0865                 0.1445
 AlphaG Fr= 1--      0.0026                 0.0041                 0.0189
 Gamma2 Fr= 1--     -0.5870                 0.1614                -0.0283
 Delta2 Fr= 1--     -0.1649                 0.1027                 0.0390
 Raman1 Fr= 1--       3.584                  8.634                  7.004
 ROA1   Fr= 1--     -61.625                 18.782                 -1.466
 CID1   Fr= 1--     -17.195                  2.175                 -0.209
 Raman2 Fr= 1--       1.314                  1.038                  1.734
 ROA2   Fr= 1--     -12.769                  3.052                 -0.990
 CID2   Fr= 1--      -9.714                  2.939                 -0.571
 Raman3 Fr= 1--       2.629                  2.077                  3.467
 ROA3   Fr= 1--     -61.625                 18.782                 -1.466
 CID3   Fr= 1--     -23.442                  9.044                 -0.423
 RC180  Fr= 1--       0.467                 -0.519                 -0.010
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.06  -0.02     0.07   0.02   0.03     0.07   0.00   0.04
     2   6    -0.00  -0.03  -0.01     0.09  -0.09  -0.04     0.09   0.13   0.05
     3   6    -0.01   0.03   0.01     0.06   0.02   0.03     0.04  -0.08  -0.01
     4   6     0.00   0.10   0.03    -0.03  -0.06  -0.02    -0.03   0.11   0.03
     5   6    -0.00   0.05   0.01     0.05   0.05  -0.02     0.02  -0.05  -0.07
     6   6    -0.01  -0.07  -0.03     0.07   0.02  -0.02     0.04   0.03  -0.01
     7   6     0.01   0.14   0.01     0.08   0.01  -0.02     0.05  -0.03  -0.02
     8   6     0.02   0.02   0.19    -0.06   0.01   0.10    -0.05  -0.03  -0.03
     9   6     0.01  -0.10  -0.04     0.03  -0.02  -0.01     0.01  -0.01   0.00
    10   6     0.00   0.00  -0.03    -0.10  -0.00  -0.04    -0.08   0.00  -0.01
    11   6    -0.00   0.02   0.01    -0.12  -0.11  -0.02    -0.10   0.03   0.08
    12   6    -0.01  -0.02  -0.02    -0.07   0.01   0.10    -0.14  -0.01   0.01
    13   8     0.00  -0.03  -0.03     0.04   0.06   0.08     0.01  -0.01  -0.06
    14   8     0.02  -0.08   0.00    -0.04   0.20  -0.01    -0.00  -0.06   0.02
    15   1    -0.02  -0.10  -0.03     0.06   0.12   0.05     0.04  -0.16  -0.03
    16   1    -0.01   0.03   0.00     0.11   0.10   0.02     0.09  -0.27  -0.14
    17   1    -0.00   0.06   0.01     0.11   0.13   0.03     0.04  -0.27  -0.13
    18   1    -0.02  -0.12  -0.04     0.04   0.10   0.03    -0.02  -0.16  -0.04
    19   1    -0.02   0.51   0.01     0.12   0.19  -0.00     0.04  -0.08  -0.03
    20   1     0.09   0.03  -0.33     0.17  -0.00  -0.13     0.00  -0.03   0.03
    21   1     0.06   0.04   0.20    -0.08  -0.00   0.09    -0.09  -0.06  -0.04
    22   1    -0.02  -0.14  -0.20     0.04   0.10  -0.10     0.02   0.07   0.00
    23   1     0.09  -0.38  -0.05     0.11  -0.18  -0.01     0.03   0.01   0.01
    24   1    -0.08   0.08  -0.23     0.08  -0.01  -0.09     0.07  -0.08   0.04
    25   1    -0.23   0.06  -0.10    -0.29   0.02  -0.09    -0.10   0.00  -0.01
    26   1     0.08  -0.03  -0.16    -0.05  -0.03  -0.13    -0.06   0.01  -0.01
    27   1     0.12  -0.03  -0.11     0.01  -0.03  -0.11    -0.09   0.02  -0.02
    28   1    -0.01   0.04   0.01    -0.09  -0.23  -0.04    -0.06   0.04   0.09
    29   6    -0.01   0.04   0.01    -0.09  -0.18  -0.09     0.01   0.04   0.02
    30   1     0.08  -0.04   0.08     0.12   0.17  -0.31     0.69   0.14  -0.03
    31   1    -0.01   0.08   0.03    -0.10  -0.24  -0.13    -0.01  -0.01  -0.10
    32   1    -0.05   0.03  -0.00    -0.04  -0.15  -0.03     0.03   0.05  -0.02
    33   1    -0.02   0.06   0.01    -0.05  -0.22  -0.09     0.11   0.12   0.06
                     22                     23                     24
                      A                      A                      A
 Frequencies --    566.1443               619.3203               642.9349
 Red. masses --      2.7667                 1.7552                 2.9798
 Frc consts  --      0.5225                 0.3967                 0.7257
 IR Inten    --     35.8469                63.2709                28.3496
 RamAct Fr= 1--      0.2748                 1.3088                 3.0457
  Dep-P Fr= 1--      0.1743                 0.7188                 0.6358
  Dep-U Fr= 1--      0.2968                 0.8364                 0.7773
 Alpha2 Fr= 1--      0.0040                 0.0007                 0.0063
 Beta2  Fr= 1--      0.0136                 0.1824                 0.3946
 AlphaG Fr= 1--     -0.0206                 0.0058                -0.0069
 Gamma2 Fr= 1--      0.0179                -1.6017                -0.1867
 Delta2 Fr= 1--     -0.1303                 0.0951                -0.1969
 Raman1 Fr= 1--       1.099                  5.235                 12.183
 ROA1   Fr= 1--      -2.452               -150.719                -24.227
 CID1   Fr= 1--      -2.231                -28.789                 -1.989
 Raman2 Fr= 1--       0.163                  2.189                  4.735
 ROA2   Fr= 1--       1.471                -39.202                 -2.907
 CID2   Fr= 1--       9.021                -17.905                 -0.614
 Raman3 Fr= 1--       0.326                  4.379                  9.470
 ROA3   Fr= 1--      -2.452               -150.719                -24.227
 CID3   Fr= 1--      -7.516                -34.420                 -2.558
 RC180  Fr= 1--      -0.406                  0.673                  0.555
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.05  -0.06    -0.02   0.00  -0.03     0.07   0.03  -0.10
     2   6    -0.05   0.16   0.05    -0.07  -0.05  -0.00    -0.03  -0.01  -0.06
     3   6     0.03   0.02  -0.00    -0.01   0.03  -0.05     0.10  -0.04   0.07
     4   6     0.10   0.17   0.07     0.06  -0.05  -0.03     0.03  -0.05   0.04
     5   6     0.04  -0.00   0.06     0.04   0.00   0.02    -0.07  -0.04   0.12
     6   6     0.02  -0.08   0.01     0.02  -0.03   0.04    -0.09   0.03  -0.04
     7   6    -0.10   0.03   0.02    -0.07   0.02   0.02    -0.03   0.01  -0.00
     8   6     0.00  -0.03  -0.04     0.01   0.00   0.00     0.00   0.00  -0.00
     9   6     0.00  -0.02   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    10   6     0.01   0.01   0.00     0.04   0.00   0.00     0.02  -0.00   0.00
    11   6     0.06  -0.06  -0.10     0.07  -0.05   0.03     0.01   0.10  -0.14
    12   6     0.02  -0.03   0.03    -0.05  -0.05   0.00     0.02   0.09   0.01
    13   8     0.02   0.02   0.06    -0.02   0.07   0.04    -0.02  -0.13  -0.06
    14   8    -0.01   0.06  -0.02    -0.07  -0.02  -0.05    -0.03   0.03   0.15
    15   1     0.01  -0.38  -0.16     0.05   0.08   0.03     0.03   0.12  -0.09
    16   1    -0.05  -0.25  -0.06    -0.04   0.13   0.02     0.03   0.00   0.15
    17   1    -0.01  -0.27  -0.05    -0.01   0.12   0.04    -0.02   0.03   0.17
    18   1     0.06  -0.39  -0.16     0.08   0.08   0.05     0.00   0.12  -0.07
    19   1    -0.12  -0.05   0.01    -0.09   0.02   0.02    -0.02   0.04  -0.00
    20   1    -0.20   0.01   0.06    -0.07   0.01   0.00    -0.02   0.00  -0.04
    21   1     0.01  -0.02  -0.03     0.05   0.03   0.01     0.02   0.01   0.00
    22   1     0.00  -0.03   0.02    -0.01  -0.03   0.01    -0.00  -0.01   0.00
    23   1    -0.01   0.02   0.01    -0.01   0.00  -0.00    -0.01   0.00  -0.00
    24   1    -0.00  -0.04   0.03    -0.03   0.02  -0.01    -0.01   0.01  -0.01
    25   1     0.07   0.02   0.02     0.07   0.01   0.01     0.03   0.00   0.00
    26   1     0.04   0.03   0.04     0.05   0.01   0.02     0.02   0.00   0.01
    27   1    -0.07   0.05   0.03     0.01   0.01   0.02     0.00   0.00   0.01
    28   1     0.04  -0.15  -0.12     0.12  -0.04   0.04    -0.05   0.05  -0.16
    29   6    -0.08  -0.09  -0.06     0.03   0.03   0.02    -0.02  -0.02  -0.03
    30   1    -0.12  -0.00  -0.16     0.78   0.15  -0.40     0.68   0.25   0.15
    31   1    -0.05   0.04   0.12     0.03   0.13   0.03     0.00  -0.09   0.11
    32   1    -0.19  -0.12  -0.00    -0.08  -0.03  -0.07     0.08   0.04   0.16
    33   1    -0.24  -0.21  -0.11     0.03   0.11   0.04    -0.16  -0.26  -0.11
                     25                     26                     27
                      A                      A                      A
 Frequencies --    665.6842               720.5412               754.1943
 Red. masses --      5.0950                 3.1232                 3.9114
 Frc consts  --      1.3302                 0.9554                 1.3108
 IR Inten    --      8.0118                35.8887                 6.3018
 RamAct Fr= 1--      5.4739                 2.7804                 4.8595
  Dep-P Fr= 1--      0.4588                 0.0443                 0.0527
  Dep-U Fr= 1--      0.6290                 0.0848                 0.1001
 Alpha2 Fr= 1--      0.0324                 0.0557                 0.0954
 Beta2  Fr= 1--      0.5739                 0.0393                 0.0811
 AlphaG Fr= 1--     -0.0772                 0.0357                 0.0364
 Gamma2 Fr= 1--      0.0188                 0.9147                -0.2823
 Delta2 Fr= 1--     -0.0202                 0.2205                 0.0206
 Raman1 Fr= 1--      21.896                 11.122                 19.438
 ROA1   Fr= 1--       1.160                 94.863                -26.443
 CID1   Fr= 1--       0.053                  8.530                 -1.360
 Raman2 Fr= 1--       6.886                  0.471                  0.973
 ROA2   Fr= 1--       0.613                 20.188                 -6.941
 CID2   Fr= 1--       0.089                 42.827                 -7.136
 Raman3 Fr= 1--      13.773                  0.943                  1.945
 ROA3   Fr= 1--       1.160                 94.863                -26.443
 CID3   Fr= 1--       0.084                100.620                -13.594
 RC180  Fr= 1--       0.258                 -0.830                 -0.800
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.19  -0.04   0.15    -0.09   0.03   0.11    -0.00  -0.16   0.02
     2   6    -0.01  -0.04   0.07     0.07  -0.02  -0.01     0.08   0.22   0.08
     3   6    -0.21   0.06  -0.10    -0.10  -0.03   0.05     0.02   0.11   0.09
     4   6     0.01   0.01  -0.07    -0.04   0.08   0.03    -0.08  -0.22  -0.07
     5   6     0.20   0.03  -0.14    -0.08  -0.00  -0.04    -0.00   0.15  -0.02
     6   6     0.24  -0.07   0.12    -0.07   0.07  -0.02    -0.03  -0.11  -0.10
     7   6    -0.02  -0.01   0.03     0.17  -0.07  -0.06     0.03   0.08   0.01
     8   6     0.00   0.01   0.01     0.00   0.02   0.04    -0.00  -0.02  -0.06
     9   6     0.00  -0.00   0.00    -0.01   0.02  -0.00     0.02  -0.07   0.01
    10   6     0.01   0.00   0.00    -0.03   0.00   0.01    -0.07   0.01  -0.01
    11   6    -0.00   0.08  -0.11     0.11   0.01  -0.10    -0.02  -0.01   0.02
    12   6     0.02   0.12  -0.01     0.18  -0.03  -0.01     0.16   0.03  -0.04
    13   8    -0.02  -0.11  -0.09    -0.02  -0.00   0.10    -0.04  -0.01   0.02
    14   8    -0.00   0.04   0.14    -0.08  -0.02  -0.04    -0.05  -0.01   0.01
    15   1    -0.11  -0.03   0.19    -0.22  -0.08   0.01    -0.07  -0.33  -0.06
    16   1    -0.17   0.09  -0.12    -0.12  -0.25  -0.04     0.12   0.34   0.12
    17   1     0.13   0.09  -0.15    -0.10  -0.23  -0.12     0.07   0.35   0.07
    18   1     0.21  -0.03   0.16    -0.19  -0.08   0.00    -0.12  -0.32  -0.12
    19   1     0.02  -0.10   0.04     0.21  -0.03  -0.05     0.03  -0.07   0.00
    20   1    -0.06   0.02   0.12     0.21  -0.04  -0.04    -0.08   0.08   0.14
    21   1     0.02   0.02   0.02    -0.08  -0.03   0.01    -0.02  -0.05  -0.06
    22   1     0.00  -0.01   0.00    -0.00   0.05  -0.03     0.02  -0.07   0.05
    23   1    -0.00  -0.01   0.00     0.01  -0.02  -0.00    -0.00   0.01   0.01
    24   1    -0.00   0.01  -0.01     0.01   0.03  -0.03     0.03  -0.11   0.07
    25   1     0.00   0.00  -0.00    -0.15  -0.03  -0.03     0.00   0.01   0.01
    26   1     0.02   0.00  -0.00    -0.07  -0.04  -0.05    -0.08   0.02   0.03
    27   1     0.01   0.00  -0.00     0.11  -0.05  -0.06    -0.14   0.03   0.03
    28   1    -0.04   0.04  -0.13     0.05   0.01  -0.12    -0.03   0.10   0.04
    29   6    -0.04  -0.05  -0.06     0.03   0.02  -0.00     0.01   0.01   0.02
    30   1     0.32   0.18   0.31     0.34   0.02  -0.38     0.21   0.04  -0.08
    31   1    -0.02  -0.12   0.05     0.07   0.14   0.21    -0.01  -0.08  -0.08
    32   1     0.06   0.02   0.12    -0.03   0.01   0.09     0.09   0.03  -0.01
    33   1    -0.14  -0.26  -0.12    -0.15  -0.13  -0.06     0.10   0.06   0.04
                     28                     29                     30
                      A                      A                      A
 Frequencies --    806.3253               822.9534               838.2083
 Red. masses --      2.2055                 3.8156                 2.7210
 Frc consts  --      0.8448                 1.5225                 1.1264
 IR Inten    --      8.5112                 9.5522                 0.4200
 RamAct Fr= 1--     32.3215                 1.4262                 6.9058
  Dep-P Fr= 1--      0.0651                 0.1481                 0.1048
  Dep-U Fr= 1--      0.1223                 0.2580                 0.1898
 Alpha2 Fr= 1--      0.6158                 0.0222                 0.1195
 Beta2  Fr= 1--      0.6589                 0.0613                 0.2184
 AlphaG Fr= 1--      0.1664                 0.0178                -0.0383
 Gamma2 Fr= 1--     -2.1107                 1.5129                 4.4952
 Delta2 Fr= 1--     -1.4977                 0.2718                 2.8789
 Raman1 Fr= 1--     129.286                  5.705                 27.623
 ROA1   Fr= 1--    -250.557                153.938                523.660
 CID1   Fr= 1--      -1.938                 26.985                 18.957
 Raman2 Fr= 1--       7.907                  0.736                  2.621
 ROA2   Fr= 1--     -38.676                 34.136                 84.853
 CID2   Fr= 1--      -4.892                 46.381                 32.372
 Raman3 Fr= 1--      15.813                  1.472                  5.242
 ROA3   Fr= 1--    -250.557                153.938                523.660
 CID3   Fr= 1--     -15.845                104.578                 99.891
 RC180  Fr= 1--      -0.755                 -0.484                 -0.620
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04   0.04     0.07   0.02   0.02     0.02  -0.03   0.04
     2   6     0.02  -0.01  -0.01    -0.02  -0.11  -0.03     0.00   0.06   0.02
     3   6    -0.00  -0.07   0.03     0.06  -0.05   0.01     0.04  -0.02   0.07
     4   6    -0.01   0.08   0.03    -0.04   0.12   0.05    -0.04  -0.02  -0.01
     5   6    -0.00  -0.05  -0.05     0.05  -0.00  -0.10     0.05  -0.01  -0.07
     6   6     0.00  -0.03  -0.04     0.04   0.04  -0.04     0.04  -0.02  -0.06
     7   6     0.01   0.14   0.04    -0.15   0.05   0.08    -0.11  -0.09  -0.00
     8   6     0.01   0.00  -0.10    -0.01  -0.01  -0.02    -0.04  -0.04   0.08
     9   6     0.05  -0.12   0.03     0.00  -0.01  -0.00    -0.06   0.13  -0.03
    10   6    -0.09   0.01  -0.02     0.02  -0.01  -0.02     0.11  -0.02   0.02
    11   6     0.01   0.06  -0.08    -0.12   0.01   0.11    -0.07   0.11  -0.10
    12   6    -0.05  -0.06   0.05     0.31   0.04  -0.08    -0.03  -0.07   0.06
    13   8     0.04  -0.01   0.04    -0.06  -0.02   0.06     0.04  -0.02   0.07
    14   8     0.01  -0.02  -0.04    -0.07  -0.04  -0.01     0.00  -0.04  -0.07
    15   1    -0.02   0.33   0.15     0.12   0.14   0.08    -0.01  -0.07   0.02
    16   1     0.04   0.16   0.10     0.15  -0.16  -0.11     0.11   0.06   0.05
    17   1     0.07   0.27   0.08     0.13  -0.15  -0.11     0.17   0.26   0.06
    18   1     0.02   0.41   0.13     0.05   0.19   0.01     0.06   0.12  -0.02
    19   1     0.06  -0.04   0.05    -0.20   0.13   0.06    -0.18   0.02  -0.01
    20   1    -0.00   0.20   0.20    -0.09   0.03  -0.03    -0.22  -0.19  -0.14
    21   1     0.08   0.02  -0.08     0.12   0.08   0.01    -0.05  -0.03   0.07
    22   1     0.04  -0.20   0.12     0.00  -0.02   0.02    -0.05   0.25  -0.13
    23   1    -0.02   0.00   0.02    -0.01   0.04  -0.00     0.02   0.02  -0.02
    24   1     0.02  -0.16   0.11    -0.00  -0.04   0.04    -0.01   0.13  -0.09
    25   1     0.11   0.01   0.04     0.18   0.03   0.03    -0.03   0.02  -0.02
    26   1    -0.13   0.04   0.08     0.06   0.04   0.06     0.24  -0.02  -0.06
    27   1    -0.24   0.05   0.08    -0.14   0.05   0.07     0.14   0.00  -0.06
    28   1    -0.02  -0.05  -0.10    -0.20   0.26   0.14    -0.12   0.00  -0.13
    29   6     0.02   0.04  -0.01    -0.08  -0.06  -0.02     0.01   0.08   0.01
    30   1    -0.07  -0.07  -0.14     0.15  -0.01  -0.14    -0.07  -0.11  -0.24
    31   1     0.05   0.05   0.15    -0.13  -0.25  -0.29     0.03  -0.10   0.10
    32   1     0.03   0.07   0.16     0.08  -0.02  -0.11     0.22   0.21   0.31
    33   1    -0.12  -0.15  -0.07     0.15   0.11   0.05    -0.06  -0.21  -0.07
                     31                     32                     33
                      A                      A                      A
 Frequencies --    853.4059               858.9698               873.5504
 Red. masses --      1.3155                 3.2405                 1.8246
 Frc consts  --      0.5645                 1.4087                 0.8203
 IR Inten    --      1.0266                 4.0737                18.3742
 RamAct Fr= 1--      1.1804                13.1367                 5.7256
  Dep-P Fr= 1--      0.5905                 0.1834                 0.0471
  Dep-U Fr= 1--      0.7426                 0.3099                 0.0900
 Alpha2 Fr= 1--      0.0035                 0.1864                 0.1139
 Beta2  Fr= 1--      0.1461                 0.6786                 0.0859
 AlphaG Fr= 1--     -0.0112                -0.0550                 0.0650
 Gamma2 Fr= 1--     -0.4929                -0.1653                -1.4354
 Delta2 Fr= 1--     -0.3394                -1.0417                -0.6397
 Raman1 Fr= 1--       4.722                 52.547                 22.902
 ROA1   Fr= 1--     -58.182                -49.204               -158.273
 CID1   Fr= 1--     -12.322                 -0.936                 -6.911
 Raman2 Fr= 1--       1.753                  8.143                  1.031
 ROA2   Fr= 1--      -9.114                  4.365                -29.332
 CID2   Fr= 1--      -5.199                  0.536                -28.457
 Raman3 Fr= 1--       3.506                 16.286                  2.061
 ROA3   Fr= 1--     -58.182                -49.204               -158.273
 CID3   Fr= 1--     -16.594                 -3.021                -76.776
 RC180  Fr= 1--       0.485                 -0.380                 -0.820
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.06   0.03    -0.02  -0.06   0.14    -0.01  -0.08  -0.03
     2   6     0.01   0.02   0.01     0.02  -0.04  -0.02     0.02   0.11   0.04
     3   6     0.00   0.06   0.02     0.04  -0.07   0.15    -0.02  -0.07  -0.04
     4   6     0.00   0.02   0.01    -0.03   0.00   0.01     0.02   0.10   0.03
     5   6    -0.01  -0.07  -0.03     0.02   0.08  -0.14    -0.03  -0.05  -0.00
     6   6    -0.02  -0.07  -0.04    -0.05   0.08  -0.15    -0.02  -0.05  -0.00
     7   6     0.01  -0.02   0.01    -0.12   0.01   0.06     0.04  -0.04  -0.05
     8   6    -0.00  -0.01   0.00    -0.02  -0.03   0.01    -0.01  -0.03   0.03
     9   6    -0.01   0.01  -0.00    -0.02   0.03  -0.01    -0.03   0.05  -0.01
    10   6     0.00  -0.00   0.00     0.04  -0.02  -0.01     0.03  -0.01   0.02
    11   6     0.03  -0.03   0.03     0.15  -0.11   0.00     0.03  -0.02   0.05
    12   6     0.01   0.02  -0.02    -0.08   0.04  -0.02     0.05   0.02  -0.03
    13   8    -0.01   0.01  -0.02    -0.01   0.02  -0.08    -0.02   0.00  -0.01
    14   8    -0.00   0.01   0.02     0.02   0.05   0.06    -0.01   0.01   0.02
    15   1    -0.05  -0.42  -0.15    -0.13   0.12   0.15     0.06   0.50   0.18
    16   1    -0.04  -0.40  -0.14     0.15   0.00   0.11     0.04   0.48   0.16
    17   1     0.05   0.50   0.17     0.13  -0.18  -0.18    -0.03   0.27   0.10
    18   1     0.03   0.49   0.17    -0.16  -0.06  -0.13    -0.01   0.23   0.11
    19   1    -0.01   0.03   0.00    -0.19   0.12   0.05     0.05  -0.14  -0.05
    20   1     0.01  -0.03  -0.04    -0.12  -0.04  -0.07    -0.09  -0.06   0.02
    21   1     0.01   0.01   0.00     0.07   0.05   0.03    -0.13  -0.10  -0.00
    22   1    -0.00   0.03  -0.01    -0.01   0.07  -0.02    -0.02   0.12  -0.06
    23   1    -0.00   0.02  -0.00     0.00   0.05  -0.01     0.02  -0.01  -0.01
    24   1     0.01  -0.01   0.01     0.01  -0.00   0.01     0.00   0.06  -0.05
    25   1    -0.01  -0.00  -0.00     0.13   0.03   0.02    -0.15   0.00  -0.03
    26   1     0.00  -0.00  -0.00     0.12   0.02   0.03     0.10  -0.03  -0.07
    27   1     0.00  -0.00  -0.00    -0.08   0.04   0.04     0.14  -0.01  -0.08
    28   1     0.04  -0.02   0.03     0.22  -0.17  -0.00     0.04   0.05   0.06
    29   6     0.00  -0.03  -0.00     0.06  -0.04   0.00    -0.02  -0.06  -0.02
    30   1     0.01   0.03   0.06     0.03   0.10   0.21     0.03   0.03   0.05
    31   1     0.00   0.06  -0.01     0.10   0.32   0.19    -0.03   0.04  -0.05
    32   1    -0.08  -0.07  -0.09    -0.28  -0.20  -0.19    -0.13  -0.13  -0.17
    33   1    -0.01   0.05   0.01    -0.10   0.09   0.01     0.01   0.08   0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --    897.1329               936.3125               954.7455
 Red. masses --      1.5045                 1.1988                 1.6012
 Frc consts  --      0.7135                 0.6192                 0.8600
 IR Inten    --      1.7278                 1.8709                 0.4041
 RamAct Fr= 1--      2.9784                 1.2125                 4.3597
  Dep-P Fr= 1--      0.7431                 0.4722                 0.7385
  Dep-U Fr= 1--      0.8526                 0.6415                 0.8496
 Alpha2 Fr= 1--      0.0004                 0.0068                 0.0009
 Beta2  Fr= 1--      0.4232                 0.1296                 0.6173
 AlphaG Fr= 1--      0.0028                -0.0255                -0.0180
 Gamma2 Fr= 1--      0.8876                 0.2761                 1.0910
 Delta2 Fr= 1--      0.2265                 0.6844                -0.4146
 Raman1 Fr= 1--      11.914                  4.850                 17.439
 ROA1   Fr= 1--      92.461                 48.402                 91.474
 CID1   Fr= 1--       7.761                  9.980                  5.245
 Raman2 Fr= 1--       5.079                  1.556                  7.408
 ROA2   Fr= 1--      19.491                  1.151                 29.501
 CID2   Fr= 1--       3.838                  0.740                  3.982
 Raman3 Fr= 1--      10.158                  3.111                 14.816
 ROA3   Fr= 1--      92.461                 48.402                 91.474
 CID3   Fr= 1--       9.103                 15.558                  6.174
 RC180  Fr= 1--       0.705                  0.283                  0.699
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00  -0.05    -0.00   0.00  -0.01    -0.00  -0.00   0.00
     2   6     0.02   0.04   0.02     0.01   0.01   0.00    -0.01  -0.00   0.00
     3   6    -0.04  -0.00  -0.03    -0.01  -0.00  -0.01     0.01  -0.02   0.01
     4   6     0.01   0.00   0.01     0.00   0.00   0.00     0.00   0.02   0.01
     5   6     0.01  -0.00   0.01    -0.00  -0.00   0.01     0.00  -0.09  -0.05
     6   6     0.00  -0.00  -0.02    -0.00  -0.00   0.00     0.01   0.09   0.01
     7   6     0.07  -0.07   0.14     0.02   0.00   0.01    -0.05  -0.09  -0.01
     8   6     0.00  -0.04  -0.02    -0.05   0.00  -0.01     0.07   0.07   0.01
     9   6    -0.02   0.01  -0.06    -0.07  -0.00   0.05     0.05  -0.02   0.03
    10   6    -0.03  -0.01  -0.02     0.04   0.03  -0.07    -0.06   0.07  -0.00
    11   6     0.00   0.01  -0.00     0.00   0.00   0.00     0.01   0.01   0.01
    12   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1    -0.02   0.08  -0.02    -0.00   0.00  -0.01    -0.00  -0.01  -0.00
    16   1    -0.08   0.13   0.06    -0.02   0.03   0.01     0.02   0.08   0.04
    17   1     0.03   0.01   0.03    -0.01   0.02   0.01     0.09   0.53   0.17
    18   1     0.02  -0.01  -0.03    -0.00  -0.01   0.00    -0.05  -0.50  -0.21
    19   1    -0.09   0.49   0.11     0.03   0.02   0.01    -0.16  -0.00  -0.04
    20   1     0.18  -0.25  -0.42     0.05   0.02   0.01    -0.02  -0.12  -0.12
    21   1     0.14   0.26   0.03     0.25  -0.23   0.06     0.13   0.07   0.02
    22   1     0.01   0.13   0.10    -0.04   0.40  -0.28     0.02  -0.20   0.05
    23   1    -0.03   0.35  -0.03     0.25  -0.36   0.09    -0.03  -0.08   0.01
    24   1     0.08  -0.23   0.21     0.17  -0.06  -0.11    -0.07   0.11  -0.05
    25   1     0.11   0.01   0.02     0.44  -0.14   0.05    -0.00  -0.09   0.01
    26   1    -0.04   0.01   0.04    -0.31   0.01   0.17    -0.36  -0.01   0.04
    27   1    -0.14   0.01   0.07    -0.01  -0.09   0.16     0.13  -0.09   0.04
    28   1    -0.02  -0.00  -0.01    -0.00   0.00   0.00     0.01   0.01   0.01
    29   6    -0.00   0.00  -0.01    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01
    30   1     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1     0.00   0.00   0.02    -0.00   0.00   0.00    -0.01   0.01  -0.00
    32   1    -0.00   0.00   0.01    -0.00  -0.00  -0.00    -0.02  -0.02  -0.02
    33   1    -0.02  -0.02  -0.01    -0.00  -0.00  -0.00    -0.01   0.00  -0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --    960.5993               972.2271               978.7170
 Red. masses --      1.6232                 1.4822                 1.3906
 Frc consts  --      0.8825                 0.8255                 0.7848
 IR Inten    --      0.1155                 0.0359                 0.0540
 RamAct Fr= 1--      2.4705                 2.1337                 0.6367
  Dep-P Fr= 1--      0.6940                 0.6413                 0.7389
  Dep-U Fr= 1--      0.8194                 0.7815                 0.8499
 Alpha2 Fr= 1--      0.0024                 0.0042                 0.0001
 Beta2  Fr= 1--      0.3374                 0.2779                 0.0902
 AlphaG Fr= 1--      0.0103                -0.0171                -0.0033
 Gamma2 Fr= 1--      1.3073                 0.8521                -0.8465
 Delta2 Fr= 1--      0.3131                 0.0002                 0.5510
 Raman1 Fr= 1--       9.882                  8.535                  2.547
 ROA1   Fr= 1--     135.518                 81.807                -63.633
 CID1   Fr= 1--      13.714                  9.585                -24.984
 Raman2 Fr= 1--       4.049                  3.335                  1.082
 ROA2   Fr= 1--      28.871                 20.449                -24.724
 CID2   Fr= 1--       7.131                  6.132                -22.845
 Raman3 Fr= 1--       8.097                  6.670                  2.165
 ROA3   Fr= 1--     135.518                 81.807                -63.633
 CID3   Fr= 1--      16.737                 12.266                -29.398
 RC180  Fr= 1--       0.639                  0.563                  0.700
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.02   0.01     0.00  -0.01   0.00     0.01   0.11   0.05
     2   6    -0.01   0.03   0.02    -0.01  -0.00  -0.00    -0.00  -0.03  -0.01
     3   6     0.01  -0.04  -0.00     0.01   0.01   0.01    -0.01  -0.11  -0.04
     4   6    -0.00  -0.01   0.00    -0.00  -0.00  -0.00     0.01   0.02   0.01
     5   6     0.02   0.08   0.01     0.00  -0.00  -0.01    -0.00  -0.00  -0.00
     6   6    -0.01  -0.09  -0.05     0.00   0.01   0.00    -0.00   0.01  -0.00
     7   6    -0.04  -0.10  -0.02    -0.02   0.02  -0.01    -0.00   0.03   0.00
     8   6     0.07   0.07   0.01    -0.07   0.06  -0.02    -0.03  -0.00  -0.01
     9   6     0.04  -0.02   0.03    -0.03  -0.12  -0.02    -0.01  -0.02  -0.01
    10   6    -0.05   0.08   0.00     0.10   0.07   0.04     0.03  -0.01   0.00
    11   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.02   0.01
    12   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    13   8     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    15   1    -0.01  -0.10  -0.04     0.01   0.07   0.03    -0.07  -0.63  -0.22
    16   1     0.03   0.18   0.08     0.01  -0.10  -0.03     0.06   0.64   0.24
    17   1    -0.01  -0.45  -0.16     0.01   0.02  -0.00     0.00   0.04   0.02
    18   1     0.06   0.51   0.16     0.00  -0.03  -0.01    -0.01  -0.06  -0.02
    19   1    -0.17  -0.03  -0.05    -0.03  -0.01  -0.01     0.04   0.01   0.01
    20   1    -0.06  -0.16  -0.14    -0.03   0.02   0.02     0.03   0.07   0.06
    21   1     0.12   0.07   0.02    -0.26   0.19  -0.06    -0.07   0.02  -0.02
    22   1     0.02  -0.16   0.03     0.03   0.20   0.08     0.00   0.03   0.01
    23   1    -0.01  -0.09   0.01     0.08   0.16   0.03     0.00   0.03   0.00
    24   1    -0.05   0.09  -0.05     0.21  -0.45   0.26     0.03  -0.07   0.05
    25   1    -0.04  -0.11   0.01    -0.15  -0.12  -0.05    -0.00   0.02  -0.01
    26   1    -0.40  -0.03   0.02    -0.17  -0.09  -0.12     0.09  -0.00  -0.02
    27   1     0.20  -0.11   0.02     0.56  -0.15  -0.10     0.01   0.01  -0.02
    28   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.04   0.06   0.02
    29   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.01  -0.02  -0.01
    30   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.01
    31   1     0.00  -0.01   0.00     0.00  -0.00  -0.00    -0.02  -0.01  -0.03
    32   1     0.01   0.01   0.01     0.00   0.00   0.00    -0.02  -0.03  -0.04
    33   1     0.00  -0.01  -0.00     0.00   0.00   0.00     0.01   0.02   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1014.7872              1046.1459              1083.9346
 Red. masses --      1.9231                 2.8143                 2.1146
 Frc consts  --      1.1668                 1.8147                 1.4638
 IR Inten    --      2.6983                 3.9924                58.6672
 RamAct Fr= 1--     12.4878                 0.0981                 2.2320
  Dep-P Fr= 1--      0.2452                 0.7496                 0.7006
  Dep-U Fr= 1--      0.3939                 0.8569                 0.8240
 Alpha2 Fr= 1--      0.1500                 0.0000                 0.0019
 Beta2  Fr= 1--      0.8197                 0.0140                 0.3065
 AlphaG Fr= 1--      0.0143                -0.0001                 0.0101
 Gamma2 Fr= 1--     -0.3445                 0.0415                -1.2681
 Delta2 Fr= 1--     -1.6574                 0.1144                 1.1111
 Raman1 Fr= 1--      49.951                  0.392                  8.928
 ROA1   Fr= 1--     -86.108                  7.641                -86.182
 CID1   Fr= 1--      -1.724                 19.468                 -9.653
 Raman2 Fr= 1--       9.837                  0.168                  3.678
 ROA2   Fr= 1--       4.991                  0.080                -39.323
 CID2   Fr= 1--       0.507                  0.476                -10.691
 Raman3 Fr= 1--      19.673                  0.336                  7.356
 ROA3   Fr= 1--     -86.108                  7.641                -86.182
 CID3   Fr= 1--      -4.377                 22.719                -11.715
 RC180  Fr= 1--      -0.212                  0.714                  0.648
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.03   0.06     0.00   0.07  -0.19     0.01   0.01  -0.03
     2   6    -0.00   0.01  -0.02    -0.03   0.01  -0.00     0.00  -0.01   0.04
     3   6     0.00   0.01   0.04     0.05  -0.07   0.19    -0.02   0.01   0.00
     4   6     0.07  -0.02  -0.04    -0.04   0.00  -0.00     0.05  -0.03   0.02
     5   6     0.00   0.00   0.02     0.01   0.06  -0.18     0.02   0.02  -0.05
     6   6    -0.03   0.01  -0.03     0.05  -0.07   0.19    -0.05   0.01  -0.03
     7   6     0.01  -0.00   0.00     0.01  -0.00  -0.00     0.01   0.00   0.03
     8   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.02   0.00  -0.04
     9   6    -0.00   0.00  -0.00    -0.00   0.00  -0.01     0.01   0.00   0.03
    10   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.01  -0.01   0.02
    11   6     0.10   0.16  -0.02     0.01   0.02  -0.02     0.09   0.04   0.17
    12   6    -0.07  -0.02   0.04    -0.00   0.00   0.01    -0.01   0.08   0.04
    13   8     0.03  -0.01   0.02     0.00  -0.00   0.01    -0.00   0.01   0.00
    14   8     0.01  -0.02  -0.02     0.00  -0.00  -0.00    -0.01  -0.05  -0.09
    15   1    -0.11   0.06   0.06    -0.32   0.14  -0.31     0.06   0.01  -0.01
    16   1    -0.03  -0.15   0.01    -0.20  -0.11   0.36    -0.18  -0.04   0.11
    17   1    -0.02  -0.06  -0.01    -0.31   0.13  -0.30     0.08  -0.02  -0.04
    18   1    -0.00   0.03  -0.05    -0.20  -0.11   0.38    -0.19  -0.00   0.07
    19   1     0.04   0.02   0.01     0.09   0.03   0.01    -0.20  -0.02  -0.02
    20   1    -0.02  -0.02  -0.01     0.01  -0.01  -0.00     0.22   0.07   0.00
    21   1     0.03   0.02   0.01     0.02   0.02   0.01    -0.12  -0.11  -0.07
    22   1     0.00   0.01   0.01    -0.00   0.01   0.00    -0.01  -0.03  -0.04
    23   1    -0.00   0.02  -0.00    -0.00   0.02  -0.00     0.01  -0.11   0.02
    24   1     0.00  -0.01   0.01     0.01  -0.01   0.01    -0.01   0.07  -0.06
    25   1     0.02  -0.00   0.00     0.02   0.00   0.00    -0.07   0.01  -0.01
    26   1    -0.01   0.00   0.01    -0.00   0.00   0.01     0.06  -0.01  -0.04
    27   1    -0.02  -0.00   0.01    -0.02   0.00   0.01     0.04   0.01  -0.04
    28   1     0.44   0.45   0.11     0.10   0.07   0.01     0.06  -0.31   0.09
    29   6    -0.12  -0.09  -0.02    -0.00  -0.02   0.01    -0.06   0.01  -0.12
    30   1    -0.01  -0.04  -0.06    -0.00  -0.00  -0.01     0.08   0.07   0.27
    31   1    -0.19  -0.27  -0.44    -0.01   0.03  -0.04    -0.04  -0.25   0.07
    32   1     0.06  -0.06  -0.23    -0.03  -0.04  -0.07     0.12   0.14   0.28
    33   1     0.22   0.17   0.08     0.02   0.06   0.03    -0.17  -0.43  -0.23
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1097.1377              1107.2655              1138.5819
 Red. masses --      1.5649                 1.8178                 2.1576
 Frc consts  --      1.1098                 1.3131                 1.6480
 IR Inten    --     13.4805                32.1633                 6.8396
 RamAct Fr= 1--      3.1192                 6.2791                21.8927
  Dep-P Fr= 1--      0.6281                 0.1627                 0.3593
  Dep-U Fr= 1--      0.7716                 0.2799                 0.5287
 Alpha2 Fr= 1--      0.0069                 0.0940                 0.1864
 Beta2  Fr= 1--      0.4011                 0.2929                 1.9291
 AlphaG Fr= 1--     -0.0037                 0.0779                 0.1024
 Gamma2 Fr= 1--      1.5758                -0.9810                -1.4502
 Delta2 Fr= 1--      1.9674                -0.8639                -0.3463
 Raman1 Fr= 1--      12.477                 25.116                 87.571
 ROA1   Fr= 1--     214.232               -121.815               -150.301
 CID1   Fr= 1--      17.170                 -4.850                 -1.716
 Raman2 Fr= 1--       4.814                  3.515                 23.149
 ROA2   Fr= 1--      22.080                -16.632                -32.035
 CID2   Fr= 1--       4.587                 -4.732                 -1.384
 Raman3 Fr= 1--       9.627                  7.029                 46.298
 ROA3   Fr= 1--     214.232               -121.815               -150.301
 CID3   Fr= 1--      22.253                -17.330                 -3.246
 RC180  Fr= 1--       0.543                 -0.440                  0.057
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.05    -0.01   0.01  -0.03     0.02   0.02  -0.01
     2   6     0.01  -0.01   0.04     0.01  -0.00   0.05    -0.02  -0.06   0.00
     3   6    -0.03   0.02  -0.03    -0.02  -0.01   0.01    -0.02   0.00  -0.00
     4   6    -0.04  -0.05   0.03     0.05   0.03   0.02     0.02  -0.01   0.02
     5   6     0.02   0.01  -0.01     0.03  -0.00  -0.02     0.03   0.01  -0.03
     6   6     0.00   0.01  -0.02    -0.02   0.01  -0.04    -0.03   0.02  -0.01
     7   6     0.00  -0.01   0.05     0.02  -0.02   0.07     0.02   0.10   0.04
     8   6    -0.03   0.01  -0.05    -0.04   0.02  -0.08     0.17  -0.15  -0.03
     9   6     0.01  -0.00   0.04     0.02  -0.00   0.05    -0.07   0.05  -0.06
    10   6     0.02  -0.01   0.02     0.02  -0.01   0.02    -0.08   0.07   0.08
    11   6    -0.02   0.11  -0.00    -0.01  -0.09  -0.10    -0.00   0.00  -0.01
    12   6    -0.02  -0.01   0.02     0.00  -0.06  -0.04    -0.01  -0.03  -0.01
    13   8     0.02  -0.02   0.03    -0.01   0.01  -0.03    -0.00   0.00  -0.01
    14   8     0.01  -0.01  -0.00     0.01   0.04   0.07     0.01   0.01   0.02
    15   1     0.12   0.00  -0.01    -0.03   0.03  -0.03     0.17  -0.09   0.03
    16   1    -0.10  -0.04  -0.00    -0.18   0.00   0.14    -0.15  -0.02   0.09
    17   1     0.16  -0.07   0.03     0.14   0.02   0.03     0.17  -0.03   0.02
    18   1    -0.04   0.00   0.01    -0.08   0.02   0.00    -0.17  -0.06   0.07
    19   1    -0.28  -0.01  -0.02    -0.38   0.01  -0.02    -0.08  -0.10   0.01
    20   1     0.27   0.08  -0.01     0.40   0.10  -0.03    -0.22  -0.01   0.02
    21   1    -0.15  -0.11  -0.08    -0.20  -0.15  -0.12     0.22  -0.44  -0.03
    22   1    -0.00  -0.06  -0.05    -0.01  -0.08  -0.07    -0.03   0.29  -0.09
    23   1     0.01  -0.15   0.02     0.01  -0.22   0.03     0.07   0.15  -0.02
    24   1    -0.02   0.09  -0.08    -0.03   0.13  -0.11     0.11  -0.10   0.00
    25   1    -0.07   0.01  -0.01    -0.10   0.02  -0.02    -0.40  -0.08  -0.02
    26   1     0.08  -0.02  -0.05     0.11  -0.02  -0.06    -0.23  -0.07  -0.11
    27   1     0.05   0.01  -0.05     0.06   0.02  -0.06     0.21  -0.04  -0.07
    28   1    -0.21   0.38   0.02     0.10  -0.04  -0.07    -0.06   0.07  -0.00
    29   6     0.07  -0.09  -0.03    -0.05   0.06   0.08    -0.00   0.00   0.00
    30   1    -0.03  -0.04  -0.09    -0.03  -0.03  -0.14    -0.02  -0.02  -0.08
    31   1     0.11   0.35   0.17    -0.10  -0.21  -0.22    -0.00  -0.01  -0.01
    32   1    -0.32  -0.26  -0.23     0.24   0.16   0.04     0.01   0.01   0.00
    33   1    -0.19   0.10  -0.02     0.26   0.12   0.13     0.00   0.00   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1148.1833              1161.5240              1193.9285
 Red. masses --      1.5742                 2.0478                 1.7717
 Frc consts  --      1.2227                 1.6278                 1.4880
 IR Inten    --     39.8987               146.6821                10.4164
 RamAct Fr= 1--      2.8867                 1.1494                 3.6852
  Dep-P Fr= 1--      0.4886                 0.6985                 0.4719
  Dep-U Fr= 1--      0.6565                 0.8225                 0.6412
 Alpha2 Fr= 1--      0.0150                 0.0010                 0.0206
 Beta2  Fr= 1--      0.3158                 0.1576                 0.3938
 AlphaG Fr= 1--     -0.0204                 0.0070                -0.0048
 Gamma2 Fr= 1--     -0.5302                -1.3854                -2.1151
 Delta2 Fr= 1--     -1.0878                -0.5796                 0.6982
 Raman1 Fr= 1--      11.547                  4.598                 14.741
 ROA1   Fr= 1--     -85.709               -151.543               -180.706
 CID1   Fr= 1--      -7.423                -32.960                -12.259
 Raman2 Fr= 1--       3.790                  1.891                  4.726
 ROA2   Fr= 1--      -4.023                -28.613                -56.347
 CID2   Fr= 1--      -1.061                -15.132                -11.923
 Raman3 Fr= 1--       7.580                  3.782                  9.452
 ROA3   Fr= 1--     -85.709               -151.543               -180.706
 CID3   Fr= 1--     -11.307                -40.073                -19.119
 RC180  Fr= 1--       0.313                  0.645                  0.282
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.01   0.01    -0.05  -0.00   0.02     0.00   0.00  -0.01
     2   6    -0.01  -0.01  -0.01    -0.01   0.00  -0.00     0.01  -0.00   0.01
     3   6     0.05  -0.01   0.01     0.06  -0.00  -0.00    -0.00   0.00  -0.00
     4   6    -0.04   0.02  -0.03     0.05  -0.02  -0.00    -0.00  -0.00   0.00
     5   6    -0.06  -0.01   0.03    -0.04   0.01  -0.01    -0.00   0.00  -0.00
     6   6     0.08  -0.01   0.00     0.03   0.00  -0.01     0.00   0.00  -0.00
     7   6     0.01   0.02   0.07     0.01  -0.00   0.02    -0.02  -0.04  -0.05
     8   6     0.03  -0.04  -0.06     0.00  -0.00  -0.02     0.12   0.14  -0.02
     9   6    -0.01   0.02   0.02    -0.00   0.00   0.01    -0.10  -0.06   0.04
    10   6    -0.01   0.02   0.04    -0.00   0.00   0.01    -0.05  -0.10   0.05
    11   6    -0.01  -0.01  -0.02     0.03   0.03   0.12     0.00  -0.00  -0.00
    12   6     0.01   0.07   0.04    -0.01  -0.14  -0.09     0.00   0.00   0.00
    13   8     0.01  -0.01   0.02    -0.02   0.03  -0.05     0.00  -0.00   0.00
    14   8    -0.01  -0.03  -0.07     0.03   0.04   0.12    -0.00  -0.00  -0.00
    15   1    -0.36   0.06  -0.11    -0.31   0.05  -0.07    -0.01   0.02  -0.01
    16   1     0.31   0.04  -0.16     0.24   0.01  -0.13    -0.02  -0.00   0.01
    17   1    -0.30   0.05  -0.05    -0.36   0.06  -0.14    -0.01   0.00  -0.00
    18   1     0.44   0.04  -0.26     0.19   0.02  -0.12     0.02   0.00  -0.02
    19   1    -0.22   0.02   0.02    -0.05   0.01   0.00    -0.20  -0.16  -0.09
    20   1     0.14   0.02  -0.04     0.05   0.00  -0.01     0.04   0.01  -0.01
    21   1    -0.03  -0.20  -0.08    -0.01  -0.03  -0.02     0.28   0.33   0.03
    22   1    -0.02   0.04  -0.08    -0.00   0.01  -0.02    -0.04   0.33  -0.11
    23   1     0.03  -0.09   0.01     0.01  -0.03   0.01     0.26  -0.15   0.11
    24   1     0.02   0.05  -0.07     0.00   0.01  -0.02     0.23  -0.25   0.02
    25   1    -0.19  -0.02  -0.02    -0.04   0.00  -0.00    -0.23   0.22   0.00
    26   1    -0.02  -0.04  -0.08     0.01  -0.01  -0.02     0.34   0.01  -0.03
    27   1     0.12  -0.01  -0.06     0.02   0.00  -0.02    -0.26   0.16  -0.09
    28   1     0.13  -0.16  -0.03    -0.22   0.25   0.12     0.00  -0.01  -0.00
    29   6     0.01  -0.01   0.02    -0.01   0.02  -0.09    -0.00  -0.00   0.00
    30   1     0.05   0.07   0.23    -0.08  -0.14  -0.44     0.00   0.00   0.01
    31   1     0.00   0.04  -0.01     0.02  -0.07   0.14    -0.00   0.00  -0.00
    32   1    -0.03  -0.04  -0.05     0.01   0.07   0.17    -0.00  -0.00  -0.00
    33   1     0.03   0.07   0.04    -0.16  -0.25  -0.17     0.00   0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1211.8261              1221.8768              1236.3067
 Red. masses --      1.2711                 2.1347                 2.3457
 Frc consts  --      1.0998                 1.8778                 2.1124
 IR Inten    --      3.7377                 8.9347                 2.3819
 RamAct Fr= 1--     60.5302                41.9797                36.8219
  Dep-P Fr= 1--      0.1113                 0.1777                 0.1373
  Dep-U Fr= 1--      0.2004                 0.3018                 0.2415
 Alpha2 Fr= 1--      1.0307                 0.6044                 0.5877
 Beta2  Fr= 1--      2.0216                 2.1115                 1.4822
 AlphaG Fr= 1--     -0.2825                -0.0420                 0.0570
 Gamma2 Fr= 1--     -2.7835                 0.6265                 1.6366
 Delta2 Fr= 1--      0.2637                -0.1820                 0.0294
 Raman1 Fr= 1--     242.121                167.919                147.288
 ROA1   Fr= 1--    -258.778                 54.322                158.053
 CID1   Fr= 1--      -1.069                  0.324                  1.073
 Raman2 Fr= 1--      24.259                 25.338                 17.786
 ROA2   Fr= 1--     -68.914                 16.493                 39.043
 CID2   Fr= 1--      -2.841                  0.651                  2.195
 Raman3 Fr= 1--      48.518                 50.677                 35.572
 ROA3   Fr= 1--    -258.778                 54.322                158.053
 CID3   Fr= 1--      -5.334                  1.072                  4.443
 RC180  Fr= 1--      -0.599                 -0.396                 -0.517
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.04    -0.10  -0.00   0.04     0.03   0.00  -0.01
     2   6     0.04  -0.00  -0.01    -0.04   0.00   0.02     0.28  -0.04  -0.02
     3   6     0.01   0.01  -0.03     0.09   0.00  -0.03    -0.07   0.03  -0.05
     4   6    -0.10   0.01   0.00     0.22  -0.02   0.00     0.04  -0.01   0.01
     5   6     0.02  -0.02   0.04     0.06   0.00  -0.03    -0.07  -0.01   0.05
     6   6    -0.00  -0.02   0.05    -0.08   0.02  -0.03     0.05   0.01  -0.03
     7   6    -0.02   0.00   0.01     0.02  -0.00  -0.01    -0.10   0.03   0.01
     8   6     0.00  -0.00  -0.00     0.00   0.00   0.02    -0.00  -0.00   0.06
     9   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.01     0.01  -0.00  -0.03
    10   6     0.00   0.00   0.00    -0.00  -0.00  -0.01     0.01   0.01  -0.02
    11   6     0.04   0.00   0.01    -0.10  -0.01  -0.02     0.01  -0.01  -0.01
    12   6    -0.00  -0.01  -0.01    -0.00   0.03   0.02    -0.00   0.00   0.00
    13   8    -0.00   0.01  -0.01     0.01  -0.02   0.03     0.00  -0.00   0.01
    14   8     0.00   0.00   0.01    -0.01  -0.01  -0.04    -0.00   0.00  -0.01
    15   1    -0.38   0.10  -0.18    -0.49   0.09  -0.10    -0.30   0.08  -0.15
    16   1     0.38   0.07  -0.30     0.21   0.02  -0.11    -0.31  -0.01   0.11
    17   1     0.50  -0.13   0.23     0.03   0.01  -0.05    -0.41   0.06  -0.07
    18   1    -0.30  -0.06   0.26    -0.42  -0.03   0.20    -0.16  -0.03   0.14
    19   1    -0.07  -0.00  -0.00     0.02  -0.01  -0.01    -0.50  -0.19  -0.08
    20   1    -0.04  -0.00   0.00     0.08   0.03   0.03    -0.24  -0.02   0.03
    21   1    -0.00  -0.01  -0.00     0.01  -0.02   0.02    -0.05  -0.08   0.05
    22   1    -0.00   0.00  -0.00     0.00   0.01   0.02     0.01  -0.01   0.07
    23   1     0.00   0.00   0.00    -0.00   0.04  -0.01    -0.03   0.11  -0.03
    24   1     0.00  -0.00   0.00     0.00  -0.03   0.02    -0.02  -0.04   0.06
    25   1    -0.01  -0.00  -0.00     0.02   0.00   0.00     0.08  -0.03   0.00
    26   1    -0.00  -0.00  -0.00     0.00   0.01   0.02    -0.06   0.02   0.05
    27   1     0.01   0.00  -0.00    -0.02  -0.00   0.01    -0.01  -0.02   0.05
    28   1     0.22  -0.02   0.03    -0.52   0.04  -0.09    -0.13   0.02  -0.03
    29   6    -0.01   0.00  -0.02     0.02  -0.01   0.04    -0.01   0.00   0.01
    30   1    -0.01  -0.02  -0.06     0.03   0.06   0.19     0.01   0.02   0.07
    31   1    -0.00  -0.02   0.02     0.01   0.05  -0.03    -0.01  -0.02  -0.04
    32   1     0.03   0.03   0.03    -0.07  -0.06  -0.07     0.01  -0.00  -0.03
    33   1     0.01  -0.03  -0.02    -0.01   0.10   0.06     0.02   0.01   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1248.7401              1280.4584              1309.5396
 Red. masses --      1.6066                 1.7882                 1.6120
 Frc consts  --      1.4761                 1.7274                 1.6288
 IR Inten    --      1.3063                 2.5781                 3.7615
 RamAct Fr= 1--      7.2015                 4.4925                 3.5290
  Dep-P Fr= 1--      0.4848                 0.5323                 0.6753
  Dep-U Fr= 1--      0.6530                 0.6948                 0.8062
 Alpha2 Fr= 1--      0.0381                 0.0189                 0.0047
 Beta2  Fr= 1--      0.7837                 0.5202                 0.4742
 AlphaG Fr= 1--     -0.0735                -0.0118                -0.0204
 Gamma2 Fr= 1--     -3.4390                 0.7347                -2.4107
 Delta2 Fr= 1--      0.1253                -0.5452                 1.1618
 Raman1 Fr= 1--      28.806                 17.970                 14.116
 ROA1   Fr= 1--    -326.138                 53.084               -194.253
 CID1   Fr= 1--     -11.322                  2.954                -13.761
 Raman2 Fr= 1--       9.405                  6.243                  5.690
 ROA2   Fr= 1--     -83.539                 21.994                -67.152
 CID2   Fr= 1--      -8.882                  3.523                -11.801
 Raman3 Fr= 1--      18.810                 12.486                 11.381
 ROA3   Fr= 1--    -326.138                 53.084               -194.253
 CID3   Fr= 1--     -17.339                  4.252                -17.069
 RC180  Fr= 1--       0.306                  0.390                  0.612
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.04     0.02  -0.01   0.04     0.03  -0.01   0.02
     2   6    -0.06  -0.01   0.08     0.01   0.01  -0.03     0.00   0.01  -0.03
     3   6     0.03  -0.00  -0.01    -0.01  -0.01   0.03    -0.02  -0.01   0.03
     4   6    -0.04  -0.01   0.04     0.07   0.03  -0.12     0.01   0.03  -0.09
     5   6    -0.01   0.01  -0.03     0.04  -0.02   0.04     0.03  -0.01   0.03
     6   6     0.01   0.00  -0.03    -0.04  -0.00   0.01    -0.03  -0.01   0.02
     7   6     0.01  -0.00  -0.06    -0.00  -0.00   0.00    -0.01  -0.01   0.00
     8   6     0.02   0.00   0.14     0.00   0.00   0.02    -0.00   0.00   0.00
     9   6    -0.00  -0.02  -0.09     0.00  -0.00  -0.01     0.00  -0.00  -0.01
    10   6    -0.01  -0.00  -0.05    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    11   6     0.02  -0.00  -0.01    -0.15   0.05   0.04    -0.07  -0.07   0.00
    12   6    -0.01  -0.00   0.00     0.04   0.06   0.02     0.01  -0.10  -0.06
    13   8     0.00   0.00   0.00    -0.02   0.00  -0.05     0.02   0.00   0.05
    14   8     0.00   0.00   0.00     0.01  -0.03   0.03    -0.02   0.05  -0.03
    15   1     0.01   0.02  -0.02    -0.21   0.04  -0.04    -0.12   0.03  -0.03
    16   1     0.05   0.01  -0.02    -0.23  -0.05   0.19    -0.12  -0.02   0.10
    17   1     0.12  -0.01   0.02     0.10  -0.04   0.06     0.10  -0.02   0.06
    18   1     0.20   0.05  -0.15     0.04   0.02  -0.05     0.08   0.01  -0.05
    19   1    -0.32  -0.29  -0.14    -0.13  -0.05  -0.03    -0.04   0.00  -0.01
    20   1     0.47   0.28   0.17     0.10   0.05   0.02     0.10   0.05   0.02
    21   1     0.09  -0.23   0.16     0.02  -0.06   0.02     0.07  -0.05   0.02
    22   1     0.03   0.06   0.16     0.01   0.01   0.02     0.00   0.00   0.01
    23   1    -0.05   0.31  -0.07    -0.01   0.04  -0.01    -0.01   0.02  -0.01
    24   1    -0.03  -0.15   0.15    -0.01  -0.02   0.02    -0.01  -0.01   0.01
    25   1     0.14  -0.02   0.01     0.01  -0.00   0.00    -0.01  -0.00   0.00
    26   1    -0.05   0.05   0.11    -0.00   0.01   0.01     0.01  -0.00  -0.00
    27   1    -0.08  -0.04   0.10    -0.01  -0.01   0.01     0.01  -0.00  -0.00
    28   1     0.03   0.01  -0.00     0.53  -0.38   0.07     0.28   0.51   0.20
    29   6    -0.01   0.00   0.00     0.05  -0.02  -0.01     0.03   0.03  -0.05
    30   1     0.00   0.00   0.00    -0.09  -0.17  -0.43     0.09   0.23   0.58
    31   1    -0.01  -0.02  -0.02     0.06   0.12   0.07     0.07   0.02   0.16
    32   1     0.03   0.01  -0.00    -0.14  -0.08   0.01    -0.02   0.05   0.15
    33   1     0.02   0.00   0.01    -0.15   0.02  -0.04    -0.09  -0.09  -0.09
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1318.8183              1349.4374              1363.4578
 Red. masses --      1.3454                 2.1942                 1.5518
 Frc consts  --      1.3787                 2.3542                 1.6997
 IR Inten    --      1.6020                 1.2761                 1.3672
 RamAct Fr= 1--     26.4571                 6.3771                 4.0596
  Dep-P Fr= 1--      0.3054                 0.5846                 0.4645
  Dep-U Fr= 1--      0.4679                 0.7378                 0.6344
 Alpha2 Fr= 1--      0.2670                 0.0197                 0.0234
 Beta2  Fr= 1--      2.0630                 0.7842                 0.4292
 AlphaG Fr= 1--     -0.1038                 0.1286                 0.0373
 Gamma2 Fr= 1--     -4.0846                 8.6393                 0.1777
 Delta2 Fr= 1--     -0.3184                 3.4190                 0.0796
 Raman1 Fr= 1--     105.828                 25.508                 16.238
 ROA1   Fr= 1--    -402.307                938.778                 19.611
 CID1   Fr= 1--      -3.802                 36.803                  1.208
 Raman2 Fr= 1--      24.756                  9.410                  5.151
 ROA2   Fr= 1--     -95.483                179.990                  3.628
 CID2   Fr= 1--      -3.857                 19.127                  0.704
 Raman3 Fr= 1--      49.513                 18.821                 10.301
 ROA3   Fr= 1--    -402.307                938.778                 19.611
 CID3   Fr= 1--      -8.125                 49.880                  1.904
 RC180  Fr= 1--      -0.064                  0.476                  0.269
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01   0.01    -0.07   0.02  -0.03    -0.09   0.01  -0.02
     2   6     0.05   0.03  -0.02     0.03  -0.07   0.18     0.01   0.01  -0.00
     3   6    -0.02   0.00  -0.00     0.10   0.02  -0.08     0.04   0.00  -0.02
     4   6    -0.00   0.00  -0.00     0.02  -0.02   0.06     0.03  -0.03   0.10
     5   6    -0.00  -0.01   0.02    -0.12   0.03  -0.05    -0.03   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.07   0.02  -0.06     0.08   0.01  -0.05
     7   6    -0.11  -0.05  -0.03    -0.00   0.03  -0.05    -0.04  -0.03   0.02
     8   6    -0.05  -0.02  -0.04    -0.04  -0.07  -0.03     0.04   0.05   0.00
     9   6     0.02  -0.00  -0.01     0.01   0.02   0.03    -0.01  -0.01  -0.01
    10   6     0.00   0.02   0.06     0.01   0.02   0.02    -0.01  -0.01  -0.01
    11   6     0.01   0.01   0.00    -0.04  -0.02  -0.01    -0.08  -0.03  -0.02
    12   6    -0.00   0.01   0.01     0.01   0.00   0.00     0.01   0.01   0.01
    13   8    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    14   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.00   0.02   0.01    -0.22   0.05  -0.09     0.33  -0.08   0.14
    16   1     0.00   0.01  -0.02    -0.34  -0.05   0.23     0.16   0.03  -0.10
    17   1    -0.10   0.02  -0.02     0.33  -0.08   0.13    -0.24   0.05  -0.07
    18   1    -0.08  -0.00   0.06     0.14   0.02  -0.11    -0.33  -0.04   0.24
    19   1     0.29   0.22   0.07     0.25  -0.02   0.01     0.13   0.17   0.06
    20   1     0.45   0.28   0.19    -0.18  -0.01   0.04     0.05   0.01   0.02
    21   1     0.61  -0.06   0.13     0.22   0.46   0.06    -0.18  -0.32  -0.07
    22   1     0.01  -0.01  -0.01    -0.01  -0.01  -0.09     0.01   0.03   0.04
    23   1    -0.06   0.07  -0.03    -0.04  -0.08   0.01     0.05   0.05   0.00
    24   1    -0.04   0.02   0.00    -0.01   0.08  -0.05     0.02  -0.03  -0.00
    25   1    -0.14  -0.02   0.01    -0.03  -0.06   0.00     0.03   0.05   0.00
    26   1     0.06  -0.04  -0.11    -0.02  -0.03  -0.07     0.02   0.02   0.03
    27   1     0.16  -0.00  -0.08     0.07  -0.01  -0.01    -0.02   0.01  -0.02
    28   1    -0.07  -0.04  -0.03     0.27   0.08   0.07     0.53   0.14   0.13
    29   6    -0.01  -0.00   0.01     0.01   0.01  -0.01     0.02   0.01  -0.02
    30   1    -0.01  -0.02  -0.05    -0.00   0.00   0.01    -0.01  -0.01  -0.01
    31   1    -0.01  -0.01  -0.02     0.02   0.01   0.01     0.04   0.02   0.07
    32   1     0.01  -0.00  -0.02    -0.02   0.00   0.02    -0.03   0.01   0.09
    33   1     0.02   0.01   0.01    -0.06  -0.03  -0.03    -0.06  -0.01  -0.04
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1372.2949              1374.7353              1392.5279
 Red. masses --      1.4812                 1.3002                 1.9960
 Frc consts  --      1.6435                 1.4477                 2.2804
 IR Inten    --      0.6630                 2.0564                42.0235
 RamAct Fr= 1--      8.9768                23.0717                 5.0854
  Dep-P Fr= 1--      0.2508                 0.5004                 0.7464
  Dep-U Fr= 1--      0.4010                 0.6670                 0.8548
 Alpha2 Fr= 1--      0.1062                 0.1137                 0.0003
 Beta2  Fr= 1--      0.5999                 2.5649                 0.7245
 AlphaG Fr= 1--      0.2235                 0.0940                 0.0070
 Gamma2 Fr= 1--      3.8886                 0.6140                 1.7280
 Delta2 Fr= 1--     -0.0263                -2.1117                -2.1564
 Raman1 Fr= 1--      35.907                 92.287                 20.342
 ROA1   Fr= 1--     372.469                 -8.633                 96.880
 CID1   Fr= 1--      10.373                 -0.094                  4.763
 Raman2 Fr= 1--       7.199                 30.779                  8.694
 ROA2   Fr= 1--      93.538                 31.628                 58.723
 CID2   Fr= 1--      12.993                  1.028                  6.755
 Raman3 Fr= 1--      14.398                 61.558                 17.387
 ROA3   Fr= 1--     372.469                 -8.633                 96.880
 CID3   Fr= 1--      25.869                 -0.140                  5.572
 RC180  Fr= 1--      -0.198                  0.334                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.01    -0.01   0.01  -0.01     0.03  -0.01   0.01
     2   6    -0.02  -0.01   0.00    -0.02   0.02  -0.05    -0.00   0.00   0.00
     3   6     0.01  -0.00   0.00    -0.03  -0.01   0.02    -0.01   0.00  -0.00
     4   6     0.00  -0.01   0.02     0.01  -0.01   0.03    -0.00   0.02  -0.01
     5   6     0.00   0.00  -0.01     0.04  -0.01   0.01     0.02  -0.00  -0.00
     6   6     0.01   0.00  -0.00     0.00   0.00  -0.01    -0.03  -0.00   0.01
     7   6     0.10   0.03   0.02     0.04   0.04  -0.01    -0.00  -0.00  -0.00
     8   6    -0.14   0.08  -0.02    -0.03  -0.11   0.01     0.00   0.00   0.00
     9   6     0.04   0.01  -0.03     0.00   0.02   0.03    -0.00   0.00  -0.00
    10   6     0.01  -0.02   0.04     0.01   0.03  -0.00    -0.00  -0.00  -0.00
    11   6    -0.01  -0.00  -0.00    -0.03  -0.01  -0.01     0.02  -0.17  -0.02
    12   6     0.00   0.00   0.00     0.00   0.01   0.01    -0.04   0.18   0.11
    13   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.02  -0.03
    14   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.06  -0.01
    15   1     0.07  -0.02   0.02     0.20  -0.05   0.07    -0.12   0.03  -0.05
    16   1     0.05   0.00  -0.03     0.22   0.03  -0.15    -0.02   0.01   0.01
    17   1    -0.01   0.01  -0.01    -0.23   0.06  -0.09     0.02   0.03   0.00
    18   1    -0.03  -0.02   0.02    -0.19  -0.03   0.12     0.08   0.02  -0.07
    19   1    -0.24  -0.18  -0.07    -0.32  -0.29  -0.11     0.02   0.02   0.00
    20   1    -0.36  -0.23  -0.15     0.14   0.07  -0.02    -0.01  -0.00   0.01
    21   1     0.60  -0.34   0.15     0.16   0.62   0.09    -0.02  -0.02  -0.01
    22   1     0.02  -0.19   0.10    -0.01   0.03  -0.09    -0.00  -0.01   0.00
    23   1    -0.08  -0.08  -0.06    -0.05  -0.05   0.01     0.00  -0.01  -0.00
    24   1    -0.03  -0.09   0.17    -0.03   0.08  -0.04     0.01  -0.01   0.01
    25   1    -0.04   0.06   0.02    -0.05  -0.11  -0.02     0.01   0.00   0.00
    26   1     0.12  -0.03  -0.06    -0.06  -0.02  -0.03     0.01   0.00   0.00
    27   1     0.07   0.04  -0.11     0.01  -0.03   0.07     0.00  -0.00  -0.00
    28   1     0.07   0.02   0.02     0.18   0.06   0.05    -0.09   0.74   0.17
    29   6     0.00   0.00  -0.00     0.01   0.00  -0.01     0.01   0.06  -0.02
    30   1    -0.00  -0.00  -0.01    -0.01  -0.01  -0.02    -0.07  -0.17  -0.41
    31   1     0.00   0.00   0.01     0.02   0.01   0.04     0.03  -0.17   0.10
    32   1    -0.00   0.00   0.01    -0.01   0.01   0.05    -0.06   0.03   0.01
    33   1    -0.01   0.00  -0.00    -0.01   0.01  -0.01     0.03  -0.20  -0.08
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1403.6256              1416.0924              1423.3031
 Red. masses --      1.2575                 1.2211                 1.2351
 Frc consts  --      1.4597                 1.4427                 1.4741
 IR Inten    --      5.7652                11.3766                 6.4359
 RamAct Fr= 1--      0.0912                 1.6162                 1.7951
  Dep-P Fr= 1--      0.5093                 0.5146                 0.4523
  Dep-U Fr= 1--      0.6749                 0.6795                 0.6228
 Alpha2 Fr= 1--      0.0004                 0.0074                 0.0109
 Beta2  Fr= 1--      0.0103                 0.1830                 0.1863
 AlphaG Fr= 1--      0.0020                 0.0032                 0.0033
 Gamma2 Fr= 1--     -0.0861                -0.1803                -0.0098
 Delta2 Fr= 1--     -0.0143                 0.1136                -0.1638
 Raman1 Fr= 1--       0.365                  6.465                  7.180
 ROA1   Fr= 1--      -8.727                -13.677                 -6.186
 CID1   Fr= 1--     -23.929                 -2.116                 -0.861
 Raman2 Fr= 1--       0.123                  2.196                  2.236
 ROA2   Fr= 1--      -1.952                 -5.237                  1.074
 CID2   Fr= 1--     -15.865                 -2.384                  0.480
 Raman3 Fr= 1--       0.246                  4.393                  4.472
 ROA3   Fr= 1--      -8.727                -13.677                 -6.186
 CID3   Fr= 1--     -35.458                 -3.113                 -1.383
 RC180  Fr= 1--       0.350                  0.359                  0.246
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.01  -0.00   0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.01    -0.00  -0.00  -0.00
     3   6    -0.00  -0.00   0.00    -0.00   0.00  -0.01    -0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00     0.01  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00     0.01   0.00  -0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.01   0.00  -0.00    -0.00   0.00   0.00
     7   6    -0.01   0.00  -0.00    -0.00  -0.00  -0.00     0.02   0.01   0.00
     8   6     0.03  -0.03   0.01     0.00   0.00  -0.00    -0.00   0.01  -0.00
     9   6    -0.03   0.09  -0.03     0.00  -0.00   0.00     0.03  -0.09   0.04
    10   6    -0.11   0.02   0.00     0.00  -0.00   0.00    -0.09   0.01   0.01
    11   6    -0.00   0.00  -0.00     0.00  -0.01  -0.00     0.00  -0.00  -0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.02   0.02    -0.00   0.00   0.00
    13   8     0.00   0.00   0.00    -0.00   0.00  -0.01     0.00  -0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00  -0.01  -0.00     0.00  -0.00  -0.00
    15   1     0.01  -0.00   0.00    -0.05   0.01  -0.02    -0.00  -0.00  -0.00
    16   1     0.01   0.00  -0.01    -0.03  -0.01   0.01     0.01   0.00  -0.01
    17   1    -0.01   0.00  -0.01    -0.01   0.00  -0.01    -0.00   0.00  -0.00
    18   1    -0.01   0.00   0.00     0.02   0.01  -0.02     0.00  -0.00  -0.00
    19   1     0.01  -0.01   0.00     0.02   0.01   0.00    -0.07   0.00  -0.01
    20   1     0.06   0.04   0.01    -0.02  -0.00   0.00    -0.09  -0.04   0.00
    21   1    -0.07   0.08  -0.01    -0.00  -0.01  -0.00     0.02  -0.02  -0.00
    22   1    -0.07  -0.33   0.15     0.00   0.00  -0.00     0.06   0.36  -0.18
    23   1     0.17  -0.34  -0.00    -0.00   0.01   0.00    -0.14   0.40   0.03
    24   1     0.21  -0.23   0.19    -0.00   0.00  -0.00    -0.19   0.26  -0.27
    25   1     0.41  -0.10   0.14     0.00   0.00   0.00     0.37  -0.02   0.14
    26   1     0.39   0.11  -0.11    -0.00  -0.00   0.00     0.35   0.09  -0.10
    27   1     0.35  -0.21  -0.09    -0.00   0.00  -0.00     0.31  -0.15  -0.15
    28   1     0.01  -0.01  -0.00    -0.02   0.05   0.01     0.00   0.00   0.00
    29   6    -0.00  -0.00  -0.00    -0.06  -0.09  -0.08     0.00   0.00   0.00
    30   1     0.00   0.00   0.00    -0.01  -0.02  -0.05     0.00  -0.00  -0.00
    31   1     0.00   0.00   0.00     0.05   0.38   0.37    -0.00  -0.00  -0.00
    32   1     0.00   0.00   0.00     0.35   0.17   0.44    -0.00  -0.00  -0.00
    33   1     0.00   0.01   0.00     0.30   0.48   0.12    -0.00  -0.00  -0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1460.1284              1485.6355              1490.3193
 Red. masses --      2.4823                 1.0759                 1.0465
 Frc consts  --      3.1181                 1.3990                 1.3695
 IR Inten    --      8.3591                 0.4670                 1.7558
 RamAct Fr= 1--      0.6361                 1.8071                11.8356
  Dep-P Fr= 1--      0.7114                 0.6291                 0.7241
  Dep-U Fr= 1--      0.8313                 0.7724                 0.8399
 Alpha2 Fr= 1--      0.0004                 0.0040                 0.0053
 Beta2  Fr= 1--      0.0881                 0.2326                 1.6569
 AlphaG Fr= 1--      0.0079                 0.0369                -0.0120
 Gamma2 Fr= 1--     -3.3345                 1.4182                 2.6193
 Delta2 Fr= 1--      1.4953                -0.2983                -0.3740
 Raman1 Fr= 1--       2.545                  7.228                 47.342
 ROA1   Fr= 1--    -272.262                126.601                239.485
 CID1   Fr= 1--    -106.999                 17.515                  5.059
 Raman2 Fr= 1--       1.058                  2.791                 19.883
 ROA2   Fr= 1--     -91.990                 36.422                 65.855
 CID2   Fr= 1--     -86.974                 13.048                  3.312
 Raman3 Fr= 1--       2.115                  5.583                 39.765
 ROA3   Fr= 1--    -272.262                126.601                239.485
 CID3   Fr= 1--    -128.707                 22.677                  6.022
 RC180  Fr= 1--       0.663                  0.545                  0.680
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13   0.00  -0.05    -0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6     0.02  -0.05   0.14    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
     3   6    -0.14   0.02  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6     0.02  -0.05   0.14    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   6     0.14   0.00  -0.04     0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.14   0.02  -0.02     0.00   0.00   0.00     0.00   0.00  -0.00
     7   6    -0.01   0.00  -0.04     0.05  -0.03  -0.03     0.02  -0.01  -0.01
     8   6     0.00   0.01  -0.00    -0.01   0.01   0.00    -0.01   0.00  -0.00
     9   6    -0.00   0.00   0.00    -0.03  -0.01  -0.00    -0.00   0.01   0.03
    10   6     0.00  -0.01   0.00     0.01   0.03   0.01    -0.00  -0.01  -0.04
    11   6    -0.04   0.02  -0.04     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6     0.00  -0.02  -0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   8    -0.00   0.01   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    15   1    -0.29   0.11  -0.22     0.02  -0.00   0.01     0.01   0.00   0.01
    16   1     0.25   0.09  -0.31    -0.00  -0.00   0.01    -0.00  -0.00   0.01
    17   1    -0.32   0.11  -0.23     0.00  -0.00   0.00     0.00  -0.00   0.00
    18   1     0.21   0.08  -0.28     0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   1     0.20   0.13   0.02    -0.25   0.38  -0.07    -0.11   0.17  -0.03
    20   1    -0.19  -0.02   0.09    -0.19   0.06   0.40    -0.08   0.03   0.18
    21   1    -0.01  -0.03  -0.01     0.03   0.01   0.01     0.06  -0.02   0.01
    22   1    -0.01  -0.03  -0.03    -0.01  -0.13   0.20    -0.08  -0.25  -0.35
    23   1    -0.01   0.01  -0.00     0.32   0.15   0.09    -0.17   0.18  -0.01
    24   1     0.03  -0.02  -0.01     0.11   0.07  -0.24     0.32  -0.12  -0.12
    25   1     0.02   0.04   0.01    -0.02  -0.40  -0.01    -0.24   0.17  -0.09
    26   1    -0.04  -0.02  -0.00     0.10  -0.08  -0.28     0.13   0.23   0.43
    27   1    -0.01   0.03  -0.05    -0.18   0.04   0.17     0.16  -0.29   0.25
    28   1     0.35  -0.07   0.02    -0.01   0.00  -0.00    -0.00   0.00   0.00
    29   6     0.01   0.00   0.01    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    30   1     0.00   0.01   0.04    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1    -0.00  -0.01  -0.07     0.00  -0.00   0.00    -0.00   0.01  -0.00
    32   1    -0.03  -0.01   0.01    -0.00  -0.00  -0.00     0.01   0.00  -0.01
    33   1    -0.09   0.01  -0.01     0.00  -0.00  -0.00     0.00  -0.01  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1492.1482              1497.7682              1498.7956
 Red. masses --      1.0467                 1.0755                 1.0551
 Frc consts  --      1.3731                 1.4215                 1.3965
 IR Inten    --      4.6917                 2.3269                 9.5376
 RamAct Fr= 1--      6.0984                 3.9174                 6.1323
  Dep-P Fr= 1--      0.6183                 0.7265                 0.6438
  Dep-U Fr= 1--      0.7641                 0.8416                 0.7833
 Alpha2 Fr= 1--      0.0147                 0.0016                 0.0117
 Beta2  Fr= 1--      0.7767                 0.5495                 0.8006
 AlphaG Fr= 1--      0.0109                 0.0008                 0.0767
 Gamma2 Fr= 1--     -0.5806                 0.4054                 0.5402
 Delta2 Fr= 1--     -1.2851                -1.2674                 2.1506
 Raman1 Fr= 1--      24.394                 15.670                 24.529
 ROA1   Fr= 1--     -96.861                 -1.634                120.682
 CID1   Fr= 1--      -3.971                 -0.104                  4.920
 Raman2 Fr= 1--       9.320                  6.594                  9.607
 ROA2   Fr= 1--      -3.653                 19.870                 -4.240
 CID2   Fr= 1--      -0.392                  3.014                 -0.441
 Raman3 Fr= 1--      18.640                 13.187                 19.214
 ROA3   Fr= 1--     -96.861                 -1.634                120.682
 CID3   Fr= 1--      -5.196                 -0.124                  6.281
 RC180  Fr= 1--       0.528                  0.683                  0.567
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.01   0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.01  -0.00  -0.00    -0.01  -0.00  -0.01     0.00  -0.00   0.01
     3   6    -0.01  -0.00   0.01     0.01  -0.00   0.00    -0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.01     0.01  -0.00   0.00
     5   6    -0.01   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6     0.00  -0.00   0.01     0.01   0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.00   0.00   0.00     0.04  -0.03  -0.03    -0.00   0.00   0.00
     8   6    -0.00   0.00  -0.00     0.02  -0.02   0.01    -0.00   0.00  -0.00
     9   6    -0.00  -0.00   0.00     0.02   0.02  -0.00    -0.00  -0.00   0.00
    10   6     0.00   0.00  -0.00    -0.01  -0.02   0.01     0.00   0.00  -0.00
    11   6     0.02  -0.00  -0.01     0.00   0.00   0.00    -0.02   0.03  -0.01
    12   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.01
    13   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.01
    14   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    15   1     0.02  -0.00   0.01     0.03  -0.00   0.02    -0.01   0.00  -0.01
    16   1     0.01   0.00  -0.01    -0.01  -0.01   0.01    -0.01  -0.01  -0.00
    17   1     0.03  -0.01   0.01     0.00  -0.00   0.01    -0.01   0.00  -0.01
    18   1     0.02   0.00  -0.01    -0.01  -0.00   0.01    -0.00   0.00  -0.00
    19   1     0.00  -0.00   0.00    -0.24   0.38  -0.07     0.04  -0.05   0.01
    20   1     0.00  -0.00  -0.00    -0.14   0.10   0.43     0.01  -0.01  -0.05
    21   1     0.00  -0.00   0.00    -0.05   0.07  -0.00     0.01  -0.01   0.00
    22   1    -0.00  -0.01  -0.00     0.01   0.13  -0.18    -0.00  -0.02   0.02
    23   1     0.00   0.01   0.00    -0.31  -0.21  -0.09     0.04   0.03   0.01
    24   1     0.01  -0.00  -0.01    -0.12  -0.09   0.29     0.02   0.01  -0.04
    25   1    -0.00  -0.00  -0.00     0.16   0.24   0.06    -0.02  -0.02  -0.01
    26   1     0.00   0.00   0.00    -0.20  -0.09  -0.02     0.02   0.01   0.01
    27   1     0.00  -0.01   0.01     0.04   0.16  -0.30    -0.00  -0.02   0.03
    28   1    -0.06  -0.02  -0.04    -0.01  -0.01  -0.01     0.02  -0.09  -0.03
    29   6     0.04   0.01  -0.03    -0.00   0.00  -0.00    -0.03   0.03  -0.03
    30   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.01   0.02
    31   1    -0.00  -0.47  -0.10     0.01  -0.05   0.07     0.08  -0.33   0.56
    32   1    -0.47  -0.08   0.51    -0.05  -0.02  -0.02    -0.31  -0.12  -0.20
    33   1    -0.18   0.48   0.06     0.08  -0.01   0.01     0.61  -0.10   0.05
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1504.4930              1511.5411              1551.6388
 Red. masses --      1.0527                 1.0509                 2.4468
 Frc consts  --      1.4039                 1.4147                 3.4708
 IR Inten    --      4.7131                12.5894                26.1709
 RamAct Fr= 1--      8.3593                 1.4241                 0.1967
  Dep-P Fr= 1--      0.7402                 0.4420                 0.6903
  Dep-U Fr= 1--      0.8507                 0.6131                 0.8168
 Alpha2 Fr= 1--      0.0014                 0.0090                 0.0002
 Beta2  Fr= 1--      1.1852                 0.1455                 0.0268
 AlphaG Fr= 1--      0.0105                -0.0028                 0.0052
 Gamma2 Fr= 1--     -0.6485                -1.7715                 0.3729
 Delta2 Fr= 1--      0.3043                -0.4459                 0.0548
 Raman1 Fr= 1--      33.437                  5.696                  0.787
 ROA1   Fr= 1--     -52.516               -184.331                 37.551
 CID1   Fr= 1--      -1.571                -32.360                 47.738
 Raman2 Fr= 1--      14.222                  1.746                  0.321
 ROA2   Fr= 1--     -17.998                -38.948                  8.510
 CID2   Fr= 1--      -1.265                -22.305                 26.493
 Raman3 Fr= 1--      28.445                  3.492                  0.642
 ROA3   Fr= 1--     -52.516               -184.331                 37.551
 CID3   Fr= 1--      -1.846                -52.782                 58.447
 RC180  Fr= 1--       0.701                  0.226                  0.634
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.10   0.04  -0.08
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.16  -0.01  -0.02
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.09  -0.03   0.11
     4   6     0.00  -0.00   0.01    -0.00  -0.00   0.00     0.16  -0.01  -0.02
     5   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.11   0.04  -0.08
     6   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.08  -0.03   0.11
     7   6    -0.00  -0.01  -0.00     0.02  -0.00  -0.00    -0.03   0.00   0.00
     8   6     0.02   0.03  -0.01    -0.01  -0.03  -0.03    -0.00  -0.00  -0.00
     9   6     0.03  -0.00  -0.01    -0.01  -0.01  -0.03     0.00  -0.00  -0.00
    10   6    -0.01   0.03  -0.02    -0.00  -0.02  -0.02     0.00   0.00   0.00
    11   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.03  -0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.01
    13   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    14   8    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.01   0.01  -0.00    -0.01  -0.00  -0.01     0.43  -0.08   0.10
    16   1    -0.00   0.00  -0.00    -0.01  -0.00   0.00     0.42   0.05  -0.24
    17   1    -0.00   0.00  -0.01    -0.01   0.00  -0.00     0.43  -0.08   0.10
    18   1     0.01   0.00  -0.01    -0.00  -0.00   0.00     0.40   0.04  -0.22
    19   1     0.02   0.05   0.00    -0.06   0.12  -0.01    -0.04   0.02   0.00
    20   1    -0.03  -0.01   0.02    -0.06   0.02   0.12    -0.04   0.01   0.02
    21   1    -0.02  -0.04  -0.03     0.04   0.08  -0.02     0.01   0.00   0.00
    22   1     0.06   0.28  -0.07     0.08   0.21   0.49     0.00   0.01   0.01
    23   1    -0.28  -0.28  -0.09     0.35  -0.16   0.05     0.00  -0.01  -0.00
    24   1    -0.28  -0.04   0.35    -0.33   0.19   0.01    -0.02   0.01   0.00
    25   1    -0.20  -0.40  -0.08    -0.15   0.30  -0.05    -0.01   0.01  -0.00
    26   1     0.30   0.09  -0.06     0.01   0.17   0.38    -0.00   0.01   0.01
    27   1    -0.11  -0.20   0.42     0.20  -0.19   0.05     0.02  -0.01  -0.00
    28   1     0.01  -0.00  -0.00     0.00  -0.00   0.00    -0.03   0.01   0.01
    29   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.00  -0.00
    30   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    31   1     0.00  -0.01   0.01    -0.00  -0.00  -0.00     0.00   0.06   0.03
    32   1    -0.01  -0.00  -0.00    -0.00  -0.00   0.00     0.05   0.01  -0.04
    33   1     0.01  -0.00   0.00    -0.00   0.00   0.00     0.03  -0.04  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1618.1596              1658.1202              1805.9255
 Red. masses --      6.0232                 5.7989                 9.5438
 Frc consts  --      9.2922                 9.3935                18.3389
 IR Inten    --      0.0137                 0.9588               273.1766
 RamAct Fr= 1--      1.5979               182.3968                23.1307
  Dep-P Fr= 1--      0.6555                 0.4505                 0.1802
  Dep-U Fr= 1--      0.7919                 0.6212                 0.3053
 Alpha2 Fr= 1--      0.0027                 1.1159                 0.3309
 Beta2  Fr= 1--      0.2109                18.8831                 1.1770
 AlphaG Fr= 1--     -0.0519                -0.2368                -0.7439
 Gamma2 Fr= 1--      0.1562                -2.0115                -4.3559
 Delta2 Fr= 1--     -0.0598                -0.9120                 0.9576
 Raman1 Fr= 1--       6.392                729.587                 92.523
 ROA1   Fr= 1--      13.080               -222.283               -387.524
 CID1   Fr= 1--       2.046                 -0.305                 -4.188
 Raman2 Fr= 1--       2.531                226.597                 14.124
 ROA2   Fr= 1--       4.227                -40.980               -112.203
 CID2   Fr= 1--       1.670                 -0.181                 -7.944
 Raman3 Fr= 1--       5.062                453.193                 28.248
 ROA3   Fr= 1--      13.080               -222.283               -387.524
 CID3   Fr= 1--       2.584                 -0.490                -13.719
 RC180  Fr= 1--       0.584                  0.242                 -0.389
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12  -0.08   0.18     0.30  -0.04   0.04    -0.01   0.00  -0.00
     2   6    -0.04   0.12  -0.32    -0.21   0.01   0.02     0.00  -0.00   0.00
     3   6     0.08   0.07  -0.21    -0.27  -0.01   0.11     0.01  -0.00   0.00
     4   6     0.04  -0.12   0.33     0.19  -0.01  -0.02    -0.02   0.00  -0.00
     5   6    -0.11   0.08  -0.18    -0.29   0.04  -0.04     0.01  -0.00   0.00
     6   6    -0.08  -0.07   0.21     0.28   0.01  -0.11    -0.01   0.00   0.00
     7   6     0.01  -0.01   0.04     0.03  -0.00  -0.01    -0.00   0.00  -0.00
     8   6     0.00  -0.01   0.00     0.01   0.01   0.00    -0.00  -0.00  -0.00
     9   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    10   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    11   6    -0.02   0.02  -0.04    -0.02  -0.00   0.00    -0.01   0.04  -0.04
    12   6    -0.00  -0.01   0.00     0.00   0.00   0.02     0.25  -0.31   0.58
    13   8    -0.00   0.00  -0.00    -0.00   0.00  -0.01    -0.16   0.17  -0.38
    14   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.02   0.02  -0.05
    15   1    -0.30   0.02   0.03    -0.31   0.10  -0.19     0.02  -0.00   0.00
    16   1    -0.32   0.01   0.06     0.26   0.07  -0.28     0.02  -0.02  -0.01
    17   1     0.29  -0.02  -0.04     0.29  -0.10   0.18    -0.02   0.01  -0.01
    18   1     0.30  -0.01  -0.05    -0.25  -0.07   0.27     0.00   0.00  -0.01
    19   1    -0.24  -0.01  -0.03     0.01   0.01  -0.01     0.00  -0.00   0.00
    20   1     0.16   0.04  -0.00     0.03   0.01   0.01     0.00   0.00  -0.00
    21   1    -0.00  -0.00   0.00    -0.01  -0.01   0.00    -0.00   0.00  -0.00
    22   1    -0.00  -0.01  -0.01    -0.00  -0.01  -0.01    -0.00  -0.00   0.00
    23   1    -0.00   0.01   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    24   1     0.01  -0.00  -0.01     0.01  -0.01   0.00    -0.00   0.00  -0.00
    25   1     0.01   0.01   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    26   1    -0.02  -0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    27   1     0.00   0.01  -0.02    -0.01   0.00   0.00     0.00  -0.00  -0.00
    28   1     0.28  -0.04   0.01    -0.02   0.01   0.00    -0.11   0.20  -0.00
    29   6    -0.00   0.00   0.00    -0.01  -0.00  -0.00     0.01   0.00   0.01
    30   1     0.00   0.01   0.01     0.00   0.00   0.00     0.09   0.16   0.43
    31   1     0.00  -0.02   0.01     0.00   0.02   0.02     0.02  -0.03   0.01
    32   1    -0.02  -0.00   0.00     0.02   0.00  -0.00    -0.06  -0.04  -0.09
    33   1     0.02   0.02   0.01     0.02  -0.00   0.00     0.02  -0.06   0.01
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3003.0980              3018.6726              3020.6560
 Red. masses --      1.0813                 1.0501                 1.0406
 Frc consts  --      5.7455                 5.6378                 5.5941
 IR Inten    --      3.8294                 8.6114                43.1538
 RamAct Fr= 1--    141.4979                15.0361                34.8921
  Dep-P Fr= 1--      0.1973                 0.6957                 0.2595
  Dep-U Fr= 1--      0.3296                 0.8205                 0.4121
 Alpha2 Fr= 1--      1.9353                 0.0143                 0.4026
 Beta2  Fr= 1--      7.7725                 2.0562                 2.3964
 AlphaG Fr= 1--      1.2220                 0.0604                -0.2275
 Gamma2 Fr= 1--     11.0940                -4.4906                 0.5324
 Delta2 Fr= 1--      6.6832                -2.2947                -3.6963
 Raman1 Fr= 1--     565.992                 60.144                139.568
 ROA1   Fr= 1--    1278.891               -504.528                -67.174
 CID1   Fr= 1--       2.260                 -8.389                 -0.481
 Raman2 Fr= 1--      93.270                 24.675                 28.757
 ROA2   Fr= 1--     212.791                -89.417                 42.347
 CID2   Fr= 1--       2.281                 -3.624                  1.473
 Raman3 Fr= 1--     186.541                 49.349                 57.515
 ROA3   Fr= 1--    1278.891               -504.528                -67.174
 CID3   Fr= 1--       6.856                -10.224                 -1.168
 RC180  Fr= 1--      -0.341                  0.641                 -0.176
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     3   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.00   0.00   0.02     0.03  -0.04  -0.03    -0.01   0.02   0.01
     8   6     0.02   0.00  -0.08     0.00  -0.00  -0.01     0.00  -0.00   0.00
     9   6    -0.00  -0.00   0.01    -0.00  -0.00   0.00     0.00   0.03  -0.03
    10   6    -0.00  -0.00   0.01    -0.03   0.01   0.01    -0.03   0.00   0.01
    11   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    13   8    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   1    -0.00  -0.00   0.00     0.01   0.00  -0.01    -0.00  -0.00   0.00
    16   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    17   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1    -0.01   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   1     0.05   0.01  -0.23    -0.11  -0.03   0.52     0.06   0.01  -0.28
    20   1     0.00  -0.01   0.01    -0.19   0.48  -0.21     0.10  -0.24   0.11
    21   1    -0.23  -0.03   0.91    -0.02  -0.00   0.09     0.00   0.00  -0.01
    22   1    -0.00   0.00   0.00    -0.02   0.00   0.00     0.28  -0.03  -0.04
    23   1     0.04   0.01  -0.17     0.01   0.00  -0.06    -0.12  -0.03   0.53
    24   1    -0.01  -0.00  -0.00     0.01   0.01   0.01    -0.17  -0.25  -0.18
    25   1     0.04   0.00  -0.12     0.12   0.01  -0.42     0.11   0.01  -0.38
    26   1    -0.01   0.04  -0.01     0.08  -0.29   0.13     0.08  -0.27   0.12
    27   1    -0.02  -0.03  -0.02     0.14   0.22   0.15     0.14   0.22   0.15
    28   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    29   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    30   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    31   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    32   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    33   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3026.9855              3047.2654              3056.5326
 Red. masses --      1.0435                 1.0356                 1.1034
 Frc consts  --      5.6333                 5.6656                 6.0735
 IR Inten    --     47.1351                25.5373                15.4116
 RamAct Fr= 1--    433.5684               239.8346                33.5368
  Dep-P Fr= 1--      0.0104                 0.0682                 0.6995
  Dep-U Fr= 1--      0.0206                 0.1277                 0.8232
 Alpha2 Fr= 1--      9.4030                 4.5354                 0.0295
 Beta2  Fr= 1--      1.4906                 5.1057                 4.6013
 AlphaG Fr= 1--     -1.2083                -0.3315                -0.2477
 Gamma2 Fr= 1--     -2.0862                 0.9137                -0.4695
 Delta2 Fr= 1--     -0.2089                 3.9605                 2.4109
 Raman1 Fr= 1--    1734.274                959.338                134.147
 ROA1   Fr= 1--    -206.962                214.451                 32.081
 CID1   Fr= 1--      -0.119                  0.224                  0.239
 Raman2 Fr= 1--      17.887                 61.269                 55.216
 ROA2   Fr= 1--     -48.397                 -9.755                -30.554
 CID2   Fr= 1--      -2.706                 -0.159                 -0.553
 Raman3 Fr= 1--      35.774                122.538                110.432
 ROA3   Fr= 1--    -206.962                214.451                 32.081
 CID3   Fr= 1--      -5.785                  1.750                  0.291
 RC180  Fr= 1--      -0.959                 -0.745                  0.646
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6     0.02  -0.03  -0.01     0.00  -0.00   0.00    -0.01   0.05  -0.08
     8   6     0.00  -0.00  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.01
     9   6    -0.00   0.03  -0.02    -0.00   0.00  -0.00    -0.00   0.00   0.01
    10   6     0.03  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.01   0.01
    11   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    13   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    15   1     0.00   0.00  -0.01     0.00   0.00  -0.00     0.01   0.00  -0.01
    16   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    17   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    18   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.01
    19   1    -0.05  -0.01   0.26    -0.00  -0.00   0.00    -0.16  -0.01   0.68
    20   1    -0.13   0.31  -0.13    -0.00   0.00  -0.00     0.24  -0.58   0.23
    21   1    -0.04  -0.01   0.17    -0.00  -0.00   0.00    -0.03  -0.00   0.13
    22   1     0.30  -0.04  -0.04     0.00  -0.00  -0.00     0.05  -0.01  -0.00
    23   1    -0.11  -0.03   0.50    -0.00  -0.00   0.00     0.01   0.00  -0.04
    24   1    -0.18  -0.26  -0.18    -0.00  -0.00  -0.00    -0.04  -0.06  -0.04
    25   1    -0.09  -0.01   0.32    -0.00  -0.00   0.00     0.03   0.00  -0.10
    26   1    -0.08   0.27  -0.12    -0.00   0.00  -0.00    -0.03   0.11  -0.04
    27   1    -0.13  -0.21  -0.14    -0.00  -0.00  -0.00    -0.02  -0.03  -0.01
    28   1    -0.00  -0.00   0.00    -0.01  -0.01   0.04    -0.00  -0.00   0.00
    29   6     0.00   0.00   0.00    -0.03  -0.03  -0.02    -0.00  -0.00  -0.00
    30   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    31   1    -0.00   0.00   0.00     0.66  -0.03  -0.13     0.00  -0.00  -0.00
    32   1     0.00  -0.00   0.00    -0.20   0.53  -0.10    -0.00   0.00  -0.00
    33   1     0.00   0.00  -0.00    -0.08  -0.11   0.44    -0.00  -0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3070.4312              3077.9775              3084.3799
 Red. masses --      1.0840                 1.0995                 1.0994
 Frc consts  --      6.0211                 6.1374                 6.1623
 IR Inten    --      6.7513                10.5037                55.5737
 RamAct Fr= 1--     68.8914                24.3829               117.4432
  Dep-P Fr= 1--      0.2018                 0.7442                 0.4451
  Dep-U Fr= 1--      0.3359                 0.8533                 0.6160
 Alpha2 Fr= 1--      0.9310                 0.0024                 0.7343
 Beta2  Fr= 1--      3.8567                 3.4678                12.0568
 AlphaG Fr= 1--     -0.0192                -0.0204                -1.6136
 Gamma2 Fr= 1--     -1.1166               -10.4726                 6.2517
 Delta2 Fr= 1--     -3.5865                 3.7363               -14.5538
 Raman1 Fr= 1--     275.566                 97.531                469.773
 ROA1   Fr= 1--    -221.961               -885.805                134.437
 CID1   Fr= 1--      -0.805                 -9.082                  0.286
 Raman2 Fr= 1--      46.280                 41.613                144.682
 ROA2   Fr= 1--       1.894               -281.232                266.470
 CID2   Fr= 1--       0.041                 -6.758                  1.842
 Raman3 Fr= 1--      92.561                 83.227                289.364
 ROA3   Fr= 1--    -221.961               -885.805                134.437
 CID3   Fr= 1--      -2.398                -10.643                  0.465
 RC180  Fr= 1--      -0.328                  0.707                  0.232
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     6   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.01
     8   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.02
     9   6     0.00   0.00   0.00    -0.00   0.03   0.05     0.00   0.03   0.06
    10   6    -0.00   0.00   0.00    -0.01   0.01  -0.07     0.00  -0.03   0.05
    11   6     0.01   0.02  -0.08    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    13   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    16   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    17   1     0.01   0.01  -0.02    -0.00  -0.00   0.00     0.00   0.00  -0.00
    18   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.00   0.01
    19   1     0.00   0.00  -0.00    -0.01  -0.00   0.04     0.02  -0.00  -0.11
    20   1     0.00   0.00  -0.00     0.01  -0.03   0.01    -0.03   0.09  -0.03
    21   1     0.00   0.00  -0.00    -0.01  -0.00   0.04     0.05   0.01  -0.19
    22   1     0.00  -0.00   0.00     0.17  -0.02  -0.00     0.15  -0.02  -0.00
    23   1     0.00   0.00  -0.00     0.09   0.03  -0.37     0.10   0.04  -0.43
    24   1    -0.00  -0.00  -0.00    -0.24  -0.36  -0.23    -0.26  -0.39  -0.25
    25   1     0.00   0.00  -0.00    -0.16  -0.01   0.53     0.12   0.00  -0.41
    26   1     0.00  -0.00   0.00     0.10  -0.33   0.13    -0.13   0.43  -0.18
    27   1    -0.00  -0.00  -0.00     0.18   0.27   0.16    -0.04  -0.06  -0.02
    28   1    -0.18  -0.22   0.94     0.00   0.00  -0.00     0.00   0.00  -0.00
    29   6    -0.00  -0.00   0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    30   1    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    31   1     0.04  -0.00  -0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    32   1    -0.01   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    33   1     0.03   0.04  -0.15    -0.00  -0.00   0.00    -0.00  -0.00   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3089.8929              3103.8650              3110.9439
 Red. masses --      1.1013                 1.1002                 1.1023
 Frc consts  --      6.1952                 6.2450                 6.2854
 IR Inten    --     42.8225                32.7264                27.0852
 RamAct Fr= 1--    132.2356                53.7469               122.4653
  Dep-P Fr= 1--      0.6540                 0.7007                 0.6701
  Dep-U Fr= 1--      0.7908                 0.8240                 0.8025
 Alpha2 Fr= 1--      0.2275                 0.0462                 0.1736
 Beta2  Fr= 1--     17.4283                 7.3813                16.3787
 AlphaG Fr= 1--     -0.3162                -0.1444                 0.1027
 Gamma2 Fr= 1--      1.9150               -10.0779                 0.5016
 Delta2 Fr= 1--      7.9261                -0.2141                -5.7366
 Raman1 Fr= 1--     528.942                214.988                489.861
 ROA1   Fr= 1--     437.477               -974.325               -135.423
 CID1   Fr= 1--       0.827                 -4.532                 -0.276
 Raman2 Fr= 1--     209.140                 88.576                196.545
 ROA2   Fr= 1--     -17.448               -240.156                 57.930
 CID2   Fr= 1--      -0.083                 -2.711                  0.295
 Raman3 Fr= 1--     418.280                177.152                393.089
 ROA3   Fr= 1--     437.477               -974.325               -135.423
 CID3   Fr= 1--       1.046                 -5.500                 -0.345
 RC180  Fr= 1--       0.582                  0.648                  0.605
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     7   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     8   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     9   6     0.00  -0.01  -0.02    -0.09  -0.02   0.00     0.00   0.00   0.00
    10   6    -0.02  -0.09  -0.02    -0.00  -0.00  -0.00     0.00   0.00   0.00
    11   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    15   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    16   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    17   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    18   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    19   1    -0.00   0.00   0.01     0.00   0.00  -0.01    -0.00  -0.00   0.00
    20   1    -0.01   0.02  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    21   1    -0.01  -0.00   0.05     0.01   0.00  -0.03     0.00  -0.00  -0.00
    22   1    -0.09   0.01   0.01     0.86  -0.13  -0.09    -0.01   0.00   0.00
    23   1    -0.03  -0.01   0.13     0.02   0.01  -0.17    -0.00   0.00   0.00
    24   1     0.08   0.11   0.07     0.20   0.32   0.22    -0.00  -0.00  -0.00
    25   1    -0.04  -0.02   0.12     0.00  -0.00  -0.00     0.00   0.00  -0.00
    26   1    -0.16   0.49  -0.23    -0.01   0.02  -0.01     0.00  -0.00   0.00
    27   1     0.38   0.56   0.38     0.02   0.02   0.02    -0.00  -0.00  -0.00
    28   1    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.01   0.01  -0.05
    29   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.08   0.05   0.02
    30   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.69  -0.01  -0.13
    32   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.22  -0.63   0.12
    33   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.01   0.06  -0.19
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3129.8176              3157.0589              3164.7686
 Red. masses --      1.1014                 1.0866                 1.0875
 Frc consts  --      6.3566                 6.3812                 6.4173
 IR Inten    --     12.7379                11.7241                10.9165
 RamAct Fr= 1--     30.0207                58.3788                54.3417
  Dep-P Fr= 1--      0.6671                 0.6953                 0.5984
  Dep-U Fr= 1--      0.8003                 0.8203                 0.7487
 Alpha2 Fr= 1--      0.0442                 0.0558                 0.1528
 Beta2  Fr= 1--      4.0045                 7.9811                 6.7811
 AlphaG Fr= 1--      0.0708                 0.0779                -0.1153
 Gamma2 Fr= 1--     -1.2583                -0.7927                -1.7011
 Delta2 Fr= 1--      2.8317                -0.8250                 1.8092
 Raman1 Fr= 1--     120.083                233.515                217.367
 ROA1   Fr= 1--     -30.178               -102.500               -105.411
 CID1   Fr= 1--      -0.251                 -0.439                 -0.485
 Raman2 Fr= 1--      48.053                 95.773                 81.373
 ROA2   Fr= 1--     -52.852                -12.426                -55.300
 CID2   Fr= 1--      -1.100                 -0.130                 -0.680
 Raman3 Fr= 1--      96.107                191.547                162.746
 ROA3   Fr= 1--     -30.178               -102.500               -105.411
 CID3   Fr= 1--      -0.314                 -0.535                 -0.648
 RC180  Fr= 1--       0.601                  0.641                  0.497
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.03   0.02  -0.07
     2   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.02  -0.01   0.03
     4   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.00  -0.00   0.00    -0.02  -0.01   0.04     0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.04   0.02  -0.05    -0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     8   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00   0.00  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    12   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    13   8     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.00  -0.00   0.01     0.01   0.01  -0.02    -0.35  -0.24   0.78
    16   1    -0.02   0.01  -0.03     0.02  -0.01   0.02    -0.26   0.15  -0.34
    17   1     0.01   0.01  -0.02     0.23   0.16  -0.52    -0.01  -0.01   0.03
    18   1     0.00  -0.00   0.00     0.46  -0.26   0.60     0.04  -0.02   0.05
    19   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.01  -0.00   0.02
    20   1     0.00  -0.00   0.00     0.01  -0.01   0.00     0.00  -0.00   0.00
    21   1    -0.00  -0.00   0.00    -0.00   0.00   0.01    -0.00   0.00   0.00
    22   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    23   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    24   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    25   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    27   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    28   1    -0.03  -0.03   0.15     0.01   0.00  -0.02    -0.00   0.00  -0.00
    29   6     0.01   0.05  -0.08    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    30   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    31   1    -0.19   0.02   0.02     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    32   1     0.16  -0.42   0.07    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    33   1    -0.13  -0.19   0.82     0.00   0.00  -0.01     0.00   0.01  -0.02
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3174.9148              3184.4944              3723.4207
 Red. masses --      1.0936                 1.0934                 1.0639
 Frc consts  --      6.4951                 6.5331                 8.6906
 IR Inten    --     16.5349                 3.8802                62.9100
 RamAct Fr= 1--    128.4187               123.7245               152.1936
  Dep-P Fr= 1--      0.1545                 0.1349                 0.2578
  Dep-U Fr= 1--      0.2676                 0.2377                 0.4099
 Alpha2 Fr= 1--      1.9628                 1.9869                 1.7646
 Beta2  Fr= 1--      5.7275                 4.9023                10.3980
 AlphaG Fr= 1--      0.0579                -0.3024                -0.3687
 Gamma2 Fr= 1--      1.2781                 0.6313                -7.0138
 Delta2 Fr= 1--      0.6403                -1.0055                 0.0324
 Raman1 Fr= 1--     513.675                494.898                608.774
 ROA1   Fr= 1--     143.189                 28.432               -672.289
 CID1   Fr= 1--       0.279                  0.057                 -1.104
 Raman2 Fr= 1--      68.730                 58.827                124.777
 ROA2   Fr= 1--      25.552                 23.196               -168.591
 CID2   Fr= 1--       0.372                  0.394                 -1.351
 Raman3 Fr= 1--     137.460                117.655                249.553
 ROA3   Fr= 1--     143.189                 28.432               -672.289
 CID3   Fr= 1--       1.042                  0.242                 -2.694
 RC180  Fr= 1--      -0.465                 -0.525                 -0.180
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.02   0.01  -0.04     0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.01   0.00  -0.01    -0.05   0.03  -0.06     0.00   0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     5   6     0.03   0.02  -0.06    -0.00  -0.00   0.01     0.00   0.00   0.00
     6   6    -0.03   0.02  -0.04     0.00  -0.00   0.01    -0.00  -0.00   0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    10   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    11   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    12   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    13   8     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    14   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.02  -0.06   0.01
    15   1     0.00   0.00  -0.01    -0.18  -0.13   0.40    -0.00  -0.00   0.00
    16   1     0.07  -0.04   0.09     0.51  -0.29   0.65     0.00   0.00  -0.00
    17   1    -0.32  -0.22   0.70     0.03   0.02  -0.07     0.00   0.00  -0.00
    18   1     0.34  -0.19   0.43    -0.04   0.02  -0.06    -0.00   0.00  -0.00
    19   1     0.00  -0.00  -0.00    -0.00  -0.00   0.01    -0.00  -0.00   0.00
    20   1     0.00  -0.01   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    21   1    -0.00   0.00   0.01     0.00   0.00   0.00     0.00  -0.00   0.00
    22   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    23   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    24   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    25   1    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    26   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    27   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    28   1    -0.01  -0.00   0.02     0.00   0.00  -0.00    -0.00   0.00   0.00
    29   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    30   1     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.28   0.93  -0.23
    31   1    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    32   1     0.00  -0.00   0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
    33   1    -0.00  -0.00   0.01    -0.00  -0.01   0.03    -0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  8 and mass  15.99491
 Atom    14 has atomic number  8 and mass  15.99491
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Molecular mass:   206.13068 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1336.314586890.985537245.92905
           X            0.99985   0.01732   0.00018
           Y           -0.01732   0.99979  -0.01114
           Z           -0.00038   0.01113   0.99994
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06482     0.01257     0.01195
 Rotational constants (GHZ):           1.35054     0.26190     0.24907
 Zero-point vibrational energy     746012.6 (Joules/Mol)
                                  178.30130 (Kcal/Mol)
 Warning -- explicit consideration of  23 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     35.85    52.57    65.71    77.72    97.13
          (Kelvin)            155.90   230.59   284.90   321.33   329.89
                              359.75   367.12   429.12   462.77   501.58
                              556.61   590.95   603.62   611.34   650.61
                              793.31   814.56   891.06   925.04   957.77
                             1036.70  1085.12  1160.12  1184.05  1205.99
                             1227.86  1235.87  1256.84  1290.77  1347.14
                             1373.67  1382.09  1398.82  1408.16  1460.05
                             1505.17  1559.54  1578.54  1593.11  1638.17
                             1651.98  1671.17  1717.80  1743.55  1758.01
                             1778.77  1796.66  1842.29  1884.14  1897.49
                             1941.54  1961.71  1974.43  1977.94  2003.54
                             2019.50  2037.44  2047.82  2100.80  2137.50
                             2144.24  2146.87  2154.95  2156.43  2164.63
                             2174.77  2232.46  2328.17  2385.67  2598.32
                             4320.79  4343.20  4346.05  4355.16  4384.34
                             4397.67  4417.67  4428.52  4437.73  4445.67
                             4465.77  4475.95  4503.11  4542.30  4553.40
                             4567.99  4581.78  5357.17
 
 Zero-point correction=                           0.284141 (Hartree/Particle)
 Thermal correction to Energy=                    0.299830
 Thermal correction to Enthalpy=                  0.300775
 Thermal correction to Gibbs Free Energy=         0.239420
 Sum of electronic and zero-point Energies=           -656.740223
 Sum of electronic and thermal Energies=              -656.724534
 Sum of electronic and thermal Enthalpies=            -656.723590
 Sum of electronic and thermal Free Energies=         -656.784944
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  188.146             58.737            129.131
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.874
 Rotational               0.889              2.981             32.567
 Vibrational            186.369             52.776             54.690
 Vibration     1          0.593              1.985              6.198
 Vibration     2          0.594              1.982              5.439
 Vibration     3          0.595              1.979              4.997
 Vibration     4          0.596              1.976              4.665
 Vibration     5          0.598              1.970              4.225
 Vibration     6          0.606              1.943              3.298
 Vibration     7          0.622              1.891              2.547
 Vibration     8          0.637              1.843              2.151
 Vibration     9          0.649              1.806              1.932
 Vibration    10          0.652              1.796              1.885
 Vibration    11          0.663              1.763              1.730
 Vibration    12          0.666              1.754              1.695
 Vibration    13          0.691              1.677              1.427
 Vibration    14          0.707              1.632              1.302
 Vibration    15          0.726              1.578              1.172
 Vibration    16          0.755              1.498              1.012
 Vibration    17          0.775              1.447              0.924
 Vibration    18          0.782              1.428              0.894
 Vibration    19          0.787              1.416              0.875
 Vibration    20          0.811              1.356              0.789
 Vibration    21          0.907              1.137              0.541
 Vibration    22          0.922              1.104              0.512
 Vibration    23          0.979              0.991              0.418
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.749076-110       -110.125474       -253.573275
 Total V=0       0.371788D+21         20.570295         47.364854
 Vib (Bot)       0.220227-124       -124.657130       -287.033648
 Vib (Bot)    1  0.831238D+01          0.919725          2.117746
 Vib (Bot)    2  0.566450D+01          0.753162          1.734219
 Vib (Bot)    3  0.452854D+01          0.655958          1.510399
 Vib (Bot)    4  0.382557D+01          0.582696          1.341707
 Vib (Bot)    5  0.305595D+01          0.485146          1.117091
 Vib (Bot)    6  0.189080D+01          0.276646          0.637000
 Vib (Bot)    7  0.126132D+01          0.100826          0.232160
 Vib (Bot)    8  0.100772D+01          0.003341          0.007694
 Vib (Bot)    9  0.884431D+00         -0.053336         -0.122811
 Vib (Bot)   10  0.859278D+00         -0.065866         -0.151663
 Vib (Bot)   11  0.780544D+00         -0.107603         -0.247765
 Vib (Bot)   12  0.763002D+00         -0.117474         -0.270494
 Vib (Bot)   13  0.638261D+00         -0.195002         -0.449008
 Vib (Bot)   14  0.583879D+00         -0.233677         -0.538062
 Vib (Bot)   15  0.529704D+00         -0.275967         -0.635437
 Vib (Bot)   16  0.465106D+00         -0.332448         -0.765490
 Vib (Bot)   17  0.430513D+00         -0.366014         -0.842779
 Vib (Bot)   18  0.418679D+00         -0.378119         -0.870652
 Vib (Bot)   19  0.411692D+00         -0.385428         -0.887480
 Vib (Bot)   20  0.378557D+00         -0.421869         -0.971389
 Vib (Bot)   21  0.284239D+00         -0.546316         -1.257940
 Vib (Bot)   22  0.272882D+00         -0.564024         -1.298714
 Vib (Bot)   23  0.236300D+00         -0.626536         -1.442653
 Vib (V=0)       0.109305D+07          6.038639         13.904481
 Vib (V=0)    1  0.882740D+01          0.945833          2.177861
 Vib (V=0)    2  0.618653D+01          0.791447          1.822374
 Vib (V=0)    3  0.505606D+01          0.703812          1.620587
 Vib (V=0)    4  0.435810D+01          0.639298          1.472037
 Vib (V=0)    5  0.359659D+01          0.555890          1.279985
 Vib (V=0)    6  0.245579D+01          0.390192          0.898450
 Vib (V=0)    7  0.185681D+01          0.268767          0.618859
 Vib (V=0)    8  0.162495D+01          0.210839          0.485475
 Vib (V=0)    9  0.151598D+01          0.180694          0.416063
 Vib (V=0)   10  0.149416D+01          0.174398          0.401566
 Vib (V=0)   11  0.142696D+01          0.154411          0.355544
 Vib (V=0)   12  0.141223D+01          0.149907          0.345174
 Vib (V=0)   13  0.131079D+01          0.117532          0.270629
 Vib (V=0)   14  0.126871D+01          0.103362          0.238000
 Vib (V=0)   15  0.122841D+01          0.089345          0.205723
 Vib (V=0)   16  0.118288D+01          0.072940          0.167951
 Vib (V=0)   17  0.115980D+01          0.064385          0.148251
 Vib (V=0)   18  0.115214D+01          0.061507          0.141625
 Vib (V=0)   19  0.114768D+01          0.059821          0.137743
 Vib (V=0)   20  0.112714D+01          0.051978          0.119684
 Vib (V=0)   21  0.107515D+01          0.031467          0.072456
 Vib (V=0)   22  0.106962D+01          0.029229          0.067302
 Vib (V=0)   23  0.105303D+01          0.022439          0.051668
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.116324D+09          8.065668         18.571887
 Rotational      0.292407D+07          6.465988         14.888487
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        33333333333333333                           111111111111111111111111111111111111                                       
     7        11111110000000000                           8665554444444443333333222221111100009999988888887766655444433322222111     
     2        87653109877542210                           051510999986210977641184321964309841776539755320526416552218429552296065432
     3        45570140480777193                           688224982060364352399009622428977465921567493836416396125017928509380884675
 
     X        XXXXXXXXXXXXXXXXX                           XX XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXX
     X             XXXX   XXX                             X  X           X            XX X X               X XXX                     
     X               XX    XX                             X              X            XX   X               X  XX                     
     X                X                                   X                           X    X                  X                      
     X                                                    X                           X                       X                      
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000004035    0.000001323    0.000000104
      2        6           0.000003910    0.000002414   -0.000004065
      3        6           0.000000010    0.000000013   -0.000000316
      4        6          -0.000010760    0.000000438    0.000003151
      5        6           0.000006994   -0.000006001   -0.000000139
      6        6          -0.000005750    0.000000426    0.000002929
      7        6          -0.000004046    0.000011316    0.000007688
      8        6          -0.000001686    0.000002896   -0.000003646
      9        6          -0.000000301   -0.000006542    0.000000877
     10        6          -0.000004305   -0.000003255    0.000000078
     11        6           0.000017363    0.000008199    0.000001644
     12        6          -0.000003287    0.000005996    0.000006641
     13        8          -0.000001001   -0.000002553   -0.000004183
     14        8           0.000001231   -0.000006175   -0.000002322
     15        1          -0.000000147   -0.000000439    0.000000616
     16        1          -0.000000584    0.000000214    0.000000726
     17        1          -0.000000546    0.000001543   -0.000000256
     18        1           0.000000796    0.000000377   -0.000000903
     19        1           0.000001642   -0.000002725   -0.000003513
     20        1           0.000003838   -0.000001836   -0.000001394
     21        1          -0.000001019   -0.000002823    0.000003310
     22        1          -0.000000616    0.000000078   -0.000001528
     23        1          -0.000000904    0.000002569   -0.000001920
     24        1           0.000000360   -0.000001108   -0.000000855
     25        1           0.000002157   -0.000000520   -0.000001388
     26        1           0.000000217    0.000000011   -0.000000797
     27        1          -0.000001587    0.000000464   -0.000002081
     28        1          -0.000003703    0.000001020    0.000002065
     29        6          -0.000001136   -0.000004813   -0.000004708
     30        1          -0.000000067   -0.000001558   -0.000000163
     31        1          -0.000000810    0.000000068    0.000000699
     32        1          -0.000000449    0.000000464    0.000002133
     33        1           0.000000151    0.000000517    0.000001516
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000017363 RMS     0.000003648
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.224030D+03 -0.217040D+01  0.198194D+01
      2  -0.217040D+01  0.138302D+03 -0.751934D+01
      3   0.198194D+01 -0.751934D+01  0.148922D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.837429D+01 -0.761750D+01  0.229248D+02
      2  -0.748879D-01 -0.715692D+01  0.339973D+02
      3  -0.106686D+03 -0.384072D+02  0.127236D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.246995D+03  0.383504D+02 -0.230629D+02
      2  -0.133642D+03 -0.193055D+02  0.420376D+02
      3  -0.113353D+03 -0.190449D+02 -0.189747D+02
      4  -0.385618D+02  0.686418D+02 -0.159493D+02
      5  -0.246335D+02 -0.218130D+02  0.707365D+02
      6  -0.803247D+00  0.239149D+02 -0.341970D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.141602D+02 -0.112404D-01  0.739995D+00  0.648668D+01  0.223078D+01
      2  -0.112404D-01  0.995448D+00  0.248042D-02  0.223078D+01  0.195879D+01
      3   0.739995D+00  0.248042D-02  0.110261D+01 -0.953518D-01 -0.270960D+01
                 6             7             8             9            10 
      1  -0.953518D-01 -0.111892D+02  0.369408D+00 -0.453030D+00  0.344002D+02
      2  -0.270960D+01  0.369408D+00 -0.120482D+01 -0.109613D+01  0.148193D+01
      3  -0.234119D+01 -0.453030D+00 -0.109613D+01 -0.172710D+01 -0.113024D+01
                11            12            13            14            15 
      1   0.148193D+01 -0.113024D+01 -0.607646D+00  0.453345D+01  0.120098D+01
      2   0.188927D+01 -0.751049D+00  0.453345D+01 -0.883265D+00 -0.196174D+00
      3  -0.751049D+00  0.278479D+01  0.120098D+01 -0.196174D+00 -0.754079D+00
                16            17            18            19            20 
      1  -0.454348D+01  0.159522D+01  0.138821D+01  0.108242D+02 -0.179046D+00
      2   0.159522D+01  0.250640D+00 -0.783562D+00 -0.179046D+00 -0.959083D+00
      3   0.138821D+01 -0.783562D+00 -0.436409D+00 -0.652343D+00 -0.295666D+00
                21            22            23            24            25 
      1  -0.652343D+00  0.482241D+01 -0.152311D+01 -0.107725D+01 -0.151548D+02
      2  -0.295666D+00 -0.152311D+01  0.252850D+01 -0.222376D+01  0.952983D-02
      3  -0.280624D+01 -0.107725D+01 -0.222376D+01 -0.112021D+01  0.597071D+00
                26            27            28            29            30 
      1   0.952983D-02  0.597071D+00 -0.323118D+02 -0.214593D+00  0.109313D+01
      2  -0.820350D+00 -0.797489D+00 -0.214593D+00 -0.151837D+01  0.197215D+00
      3  -0.797489D+00 -0.153609D+01  0.109313D+01  0.197215D+00 -0.257447D+01
                31            32            33            34            35 
      1   0.232303D+01 -0.514732D+01 -0.140699D+01  0.284039D+01 -0.129851D+01
      2  -0.514732D+01  0.567111D+00  0.343644D+00 -0.129851D+01 -0.152812D+00
      3  -0.140699D+01  0.343644D+00 -0.657823D-01 -0.915278D+00 -0.753797D+00
                36            37            38            39            40 
      1  -0.915278D+00  0.156591D+02 -0.555609D+00 -0.896442D+00 -0.370597D+01
      2  -0.753797D+00 -0.555609D+00 -0.179737D+01  0.124947D+01 -0.200044D+01
      3   0.924661D+00 -0.896442D+00  0.124947D+01 -0.172343D+01 -0.209604D+00
                41            42            43            44            45 
      1  -0.200044D+01 -0.209604D+00  0.127315D+02 -0.206383D+01  0.575580D+00
      2  -0.254611D+01  0.253489D+01 -0.206383D+01  0.128872D+01  0.134352D+01
      3   0.253489D+01  0.212339D+01  0.575580D+00  0.134352D+01  0.136743D+01
                46            47            48            49            50 
      1  -0.116163D+02  0.630103D+00  0.491655D+00 -0.325180D+01  0.111365D+01
      2   0.630103D+00  0.132659D+01 -0.665129D+00  0.111365D+01 -0.345120D+01
      3   0.491655D+00 -0.665129D+00  0.299033D+01  0.157936D+01  0.208467D+01
                51            52            53            54            55 
      1   0.157936D+01  0.146401D+02  0.130509D+01 -0.117156D+01 -0.187994D+02
      2   0.208467D+01  0.130509D+01 -0.770346D-01  0.144047D+01 -0.212005D+01
      3   0.105635D+01 -0.117156D+01  0.144047D+01  0.713973D+00 -0.264990D+00
                56            57            58            59            60 
      1  -0.212005D+01 -0.264990D+00 -0.662197D+01 -0.759240D+01 -0.556931D+00
      2  -0.356052D+01 -0.115722D+00 -0.759240D+01  0.271068D+01 -0.164508D+01
      3  -0.115722D+00 -0.138535D+01 -0.556931D+00 -0.164508D+01  0.552063D-01
                61            62            63            64            65 
      1  -0.677871D+01 -0.128667D+01 -0.306280D+01  0.370268D+00  0.311826D+01
      2  -0.128667D+01 -0.306884D+01  0.608288D+00  0.311826D+01  0.383351D+01
      3  -0.306280D+01  0.608288D+00  0.536896D+01 -0.323372D-01  0.381142D+00
                66            67            68            69            70 
      1  -0.323372D-01  0.127592D+02  0.675667D+01  0.783342D+00  0.691355D+01
      2   0.381142D+00  0.675667D+01 -0.162792D+01  0.206587D+01  0.141496D+01
      3   0.242524D+01  0.783342D+00  0.206587D+01  0.595301D+00  0.369938D+01
                71            72            73            74            75 
      1   0.141496D+01  0.369938D+01  0.588323D+01 -0.264356D+01 -0.117322D+01
      2   0.299990D+01  0.638853D+00 -0.264356D+01 -0.353760D+01 -0.699805D+00
      3   0.638853D+00 -0.734479D+01 -0.117322D+01 -0.699805D+00 -0.182945D+01
                76            77            78            79            80 
      1  -0.407283D+01 -0.401899D+01 -0.922554D+00 -0.247990D+01 -0.102431D+01
      2  -0.401899D+01 -0.323258D+00 -0.280768D+01 -0.102431D+01 -0.397643D+01
      3  -0.922554D+00 -0.280768D+01 -0.115849D+01 -0.262695D+01 -0.199635D+01
                81            82            83            84            85 
      1  -0.262695D+01  0.514382D+01 -0.183573D+01 -0.622569D+00 -0.425513D+01
      2  -0.199635D+01 -0.183573D+01 -0.355389D+01 -0.536741D+00 -0.579209D+01
      3   0.529690D+01 -0.622569D+00 -0.536741D+00 -0.287195D+01 -0.909652D+00
                86            87            88            89            90 
      1  -0.579209D+01 -0.909652D+00 -0.231690D+01 -0.992498D+00 -0.454666D+01
      2   0.228020D+01 -0.373900D+01 -0.992498D+00 -0.387978D+01 -0.327523D+00
      3  -0.373900D+01 -0.478740D+00 -0.454666D+01 -0.327523D+00  0.449048D+01
                91            92            93            94            95 
      1   0.644702D+01  0.242264D+01  0.208183D+00 -0.181083D+01  0.677055D+01
      2   0.242264D+01  0.214228D+01  0.108544D+01  0.677055D+01 -0.384613D+01
      3   0.208183D+00  0.108544D+01  0.139751D+01  0.195063D+01 -0.111501D+00
                96            97            98            99           100 
      1   0.195063D+01  0.366108D+01  0.198518D+01  0.191621D+01  0.379931D+01
      2  -0.111501D+00  0.198518D+01  0.201167D+01  0.201425D+01 -0.224972D+01
      3   0.146040D+01  0.191621D+01  0.201425D+01 -0.441908D+01  0.177867D+01
               101           102           103           104           105 
      1  -0.224972D+01  0.177867D+01 -0.281749D+01 -0.925813D+00 -0.138899D+01
      2   0.398155D+00 -0.933874D+00 -0.925813D+00  0.395316D+01  0.121270D+00
      3  -0.933874D+00  0.479014D+00 -0.138899D+01  0.121270D+00 -0.206967D+01
               106           107           108           109           110 
      1   0.400751D+01 -0.318807D+01  0.145434D+01 -0.613446D+01  0.235337D+01
      2  -0.318807D+01  0.242636D+01 -0.260086D+01  0.235337D+01 -0.160463D+01
      3   0.145434D+01 -0.260086D+01  0.287778D+01 -0.357734D+01  0.699719D+00
               111           112           113           114           115 
      1  -0.357734D+01  0.409289D+01 -0.260408D+01  0.127549D+01 -0.101689D+02
      2   0.699719D+00 -0.260408D+01  0.252082D+01 -0.220622D+01  0.375324D+01
      3  -0.191107D+01  0.127549D+01 -0.220622D+01  0.215286D+01 -0.335468D+01
               116           117           118           119           120 
      1   0.375324D+01 -0.335468D+01  0.867630D+00 -0.366404D-01  0.119180D+01
      2  -0.475565D+01  0.211638D+01 -0.366404D-01  0.233227D+01  0.497182D+00
      3   0.211638D+01 -0.751755D+01  0.119180D+01  0.497182D+00  0.262425D+00
               121           122           123           124           125 
      1   0.100497D+01  0.228068D+01  0.209217D+00  0.460419D+01 -0.147742D+01
      2   0.228068D+01 -0.664960D+01  0.593921D+00 -0.147742D+01  0.275261D+01
      3   0.209217D+00  0.593921D+00  0.362299D+00 -0.115364D+01  0.266950D+01
               126           127           128           129           130 
      1  -0.115364D+01  0.196293D+01  0.625522D+00 -0.201445D+01  0.209255D+00
      2   0.266950D+01  0.625522D+00  0.270608D+00 -0.423209D+00  0.182995D+00
      3   0.465367D+01 -0.201445D+01 -0.423209D+00  0.212230D+01 -0.715325D+00
               131           132           133           134           135 
      1   0.182995D+00 -0.715325D+00 -0.231773D+01 -0.885651D+00  0.268991D+01
      2   0.440803D+00 -0.684393D+00 -0.885651D+00 -0.119198D+01  0.170147D+01
      3  -0.684393D+00  0.229163D+01  0.268991D+01  0.170147D+01 -0.726962D+01
               136           137           138           139           140 
      1  -0.358933D+01  0.100506D+01 -0.191148D+01  0.157316D+01 -0.580982D+00
      2   0.100506D+01 -0.703348D+00  0.607327D+00 -0.580982D+00  0.587131D+00
      3  -0.191148D+01  0.607327D+00 -0.179601D+01  0.112013D+01 -0.617417D+00
               141           142           143           144           145 
      1   0.112013D+01 -0.233032D+01  0.886527D+00 -0.252399D+01 -0.207409D+01
      2  -0.617417D+00  0.886527D+00 -0.120170D+01  0.142649D+01 -0.687096D+00
      3   0.172913D+01 -0.252399D+01  0.142649D+01 -0.456904D+01  0.210371D+01
               146           147           148           149           150 
      1  -0.687096D+00  0.210371D+01 -0.495763D+00 -0.198052D+00  0.734397D+00
      2  -0.352619D+00  0.672161D+00 -0.198052D+00 -0.648386D+00  0.902864D+00
      3   0.672161D+00 -0.226478D+01  0.734397D+00  0.902864D+00 -0.239485D+01
               151           152           153           154           155 
      1   0.204399D+01  0.105961D+01 -0.275276D+01  0.370569D+01 -0.115372D+01
      2   0.105961D+01  0.160515D+01 -0.246360D+01 -0.115372D+01  0.925502D+00
      3  -0.275276D+01 -0.246360D+01  0.760095D+01  0.256308D+01 -0.114944D+01
               156           157           158           159           160 
      1   0.256308D+01 -0.207826D+01  0.828168D+00 -0.140274D+01  0.269518D+01
      2  -0.114944D+01  0.828168D+00 -0.921047D+00  0.957102D+00 -0.128415D+01
      3   0.236025D+01 -0.140274D+01  0.957102D+00 -0.204688D+01  0.301182D+01
               161           162           163           164           165 
      1  -0.128415D+01  0.301182D+01  0.118890D+01 -0.789904D-02 -0.149656D+01
      2   0.165101D+01 -0.219135D+01 -0.789904D-02  0.735461D+00  0.294162D+00
      3  -0.219135D+01  0.517126D+01 -0.149656D+01  0.294162D+00  0.136366D+01
               166           167           168           169           170 
      1   0.186834D+01  0.119797D+01 -0.494001D-01 -0.371596D+01  0.111819D+00
      2   0.119797D+01 -0.401811D+00 -0.728585D+00  0.111819D+00 -0.113864D+01
      3  -0.494001D-01 -0.728585D+00  0.749790D-01  0.244295D+01 -0.119687D+01
               171           172           173           174           175 
      1   0.244295D+01  0.465929D+01 -0.190362D+01  0.634365D+00 -0.445358D+01
      2  -0.119687D+01 -0.190362D+01  0.235835D+01 -0.575478D-01  0.363161D+01
      3  -0.629392D+01  0.634365D+00 -0.575478D-01  0.368895D+00 -0.181712D+00
               176           177           178           179           180 
      1   0.363161D+01 -0.181712D+00  0.539053D+01 -0.439520D+00  0.105091D+01
      2  -0.679380D+01  0.818961D+00 -0.439520D+00  0.204574D+01 -0.108725D+01
      3   0.818961D+00 -0.753930D+00  0.105091D+01 -0.108725D+01  0.280159D+00
               181           182           183           184           185 
      1  -0.836398D+00 -0.814181D+00  0.127150D+01 -0.176605D+01 -0.892349D+00
      2  -0.814181D+00 -0.863710D+00 -0.790065D-01 -0.892349D+00  0.187915D+00
      3   0.127150D+01 -0.790065D-01 -0.995503D+00  0.109196D+00  0.715836D+00
               186           187           188           189           190 
      1   0.109196D+00  0.220843D+01  0.133136D+00 -0.626159D+00 -0.877758D+01
      2   0.715836D+00  0.133136D+00  0.109556D+01 -0.391869D-01  0.642465D+00
      3  -0.644019D-01 -0.626159D+00 -0.391869D-01  0.741417D+01  0.468550D+00
               191           192           193           194           195 
      1   0.642465D+00  0.468550D+00  0.248280D+00 -0.133641D+01  0.600737D-01
      2  -0.236667D+01  0.836512D-01 -0.133641D+01  0.776151D+00  0.354894D+00
      3   0.836512D-01 -0.634615D+00  0.600737D-01  0.354894D+00  0.381104D+00
               196           197           198           199           200 
      1   0.526391D+00 -0.126485D+00 -0.344204D+00  0.390647D+00  0.654612D+00
      2  -0.126485D+00  0.605596D+00  0.585499D+00  0.654612D+00  0.931833D+00
      3  -0.344204D+00  0.585499D+00 -0.301450D+00 -0.101764D+01 -0.305511D+00
               201           202           203           204           205 
      1  -0.101764D+01  0.323481D+00  0.595828D+00 -0.104893D+00 -0.172654D+01
      2  -0.305511D+00  0.595828D+00  0.826045D+00 -0.753915D+00 -0.541394D+00
      3   0.131405D+01 -0.104893D+00 -0.753915D+00  0.607904D+00  0.148688D+01
               206           207           208           209           210 
      1  -0.541394D+00  0.148688D+01  0.253002D+01  0.274423D+01  0.954815D+00
      2  -0.196726D+01  0.195671D+01  0.274423D+01  0.345752D+01  0.729656D+00
      3   0.195671D+01 -0.667544D+01  0.954815D+00  0.729656D+00  0.950737D+00
               211           212           213           214           215 
      1   0.230553D+01  0.340882D+01  0.898385D+00  0.194094D+01  0.155167D+01
      2   0.340882D+01  0.680449D+01  0.195878D+01  0.155167D+01  0.346252D+01
      3   0.898385D+00  0.195878D+01  0.134309D+01  0.130702D+01  0.189345D+01
               216           217           218           219           220 
      1   0.130702D+01  0.198910D+01  0.126309D+00 -0.160243D+01  0.439739D+00
      2   0.189345D+01  0.126309D+00  0.584565D+00  0.554985D-01  0.120582D+01
      3   0.114239D+01 -0.160243D+01  0.554985D-01  0.166098D+01  0.668083D-04
               221           222           223           224           225 
      1   0.120582D+01  0.668083D-04 -0.443018D+01  0.125396D+00  0.340427D+01
      2  -0.171969D+00 -0.478940D+00  0.125396D+00 -0.915500D+00 -0.330761D-01
      3  -0.478940D+00  0.121022D+00  0.340427D+01 -0.330761D-01 -0.608937D+01
               226           227           228           229           230 
      1   0.184867D+01 -0.177463D+01  0.873286D+00 -0.403478D+01  0.345256D+01
      2  -0.177463D+01  0.177181D+01 -0.511529D+00  0.345256D+01 -0.591275D+01
      3   0.873286D+00 -0.511529D+00  0.823673D+00 -0.103931D+01  0.196882D+01
               231           232           233           234           235 
      1  -0.103931D+01  0.192109D+01 -0.918026D+00  0.164978D+01  0.486946D+01
      2   0.196882D+01 -0.918026D+00  0.216335D+01 -0.133500D+01  0.254857D+01
      3  -0.149917D+01  0.164978D+01 -0.133500D+01  0.109162D+01  0.179927D+01
               236           237           238           239           240 
      1   0.254857D+01  0.179927D+01  0.591167D+01  0.367716D+01  0.164022D+01
      2   0.196592D+01  0.911313D+00  0.367716D+01  0.346780D+01  0.182470D+01
      3   0.911313D+00  0.137375D+01  0.164022D+01  0.182470D+01  0.158325D+01
               241           242           243           244           245 
      1   0.383235D+01  0.151546D+01  0.254702D+01  0.384557D+00 -0.877664D+00
      2   0.151546D+01  0.200829D+01  0.137270D+01 -0.877664D+00 -0.491880D+00
      3   0.254702D+01  0.137270D+01  0.163604D+01  0.140445D+01  0.923901D-01
               246           247           248           249           250 
      1   0.140445D+01 -0.122068D+01 -0.102618D+01  0.196704D+00  0.259283D+01
      2   0.923901D-01 -0.102618D+01 -0.624209D+00  0.111752D+01  0.288537D+00
      3  -0.116246D+01  0.196704D+00  0.111752D+01 -0.124650D+01 -0.196173D+01
               251           252           253           254           255 
      1   0.288537D+00 -0.196173D+01  0.889400D+01  0.235284D-01 -0.163108D+01
      2   0.150778D+01 -0.114731D+01  0.235284D-01 -0.369271D+01 -0.768386D+00
      3  -0.114731D+01  0.612394D+01 -0.163108D+01 -0.768386D+00 -0.108299D+01
               256           257           258           259           260 
      1  -0.510249D+01 -0.405276D+01 -0.131551D+01 -0.667813D+01 -0.176133D+01
      2  -0.405276D+01  0.388522D+01 -0.137163D+01 -0.176133D+01 -0.266962D+01
      3  -0.131551D+01 -0.137163D+01 -0.180455D+01 -0.157135D+01 -0.138564D+01
               261           262           263           264           265 
      1  -0.157135D+01 -0.111722D+01  0.166134D+01  0.570426D+00  0.170620D+01
      2  -0.138564D+01  0.166134D+01 -0.229256D+01 -0.559002D+00 -0.332238D+01
      3   0.384156D+01  0.570426D+00 -0.559002D+00 -0.470414D+00 -0.686297D+00
               266           267           268           269           270 
      1  -0.332238D+01 -0.686297D+00 -0.304215D+00  0.624314D+00 -0.244136D+00
      2   0.102780D+02  0.206928D+01  0.624314D+00 -0.153595D+01  0.605561D+00
      3   0.206928D+01  0.176815D+01 -0.244136D+00  0.605561D+00  0.567668D+00
               271           272           273           274           275 
      1  -0.159103D+02 -0.236783D+01  0.143888D+00  0.429881D+00 -0.114728D+01
      2  -0.236783D+01 -0.148996D+01 -0.155522D+00 -0.114728D+01 -0.613392D+00
      3   0.143888D+00 -0.155522D+00 -0.103200D+01  0.125227D+00  0.216992D+00
               276           277           278           279           280 
      1   0.125227D+00  0.243282D+01  0.557060D+00 -0.122604D+01  0.103477D-01
      2   0.216992D+00  0.557060D+00  0.667489D+00 -0.501434D-01 -0.852455D+00
      3   0.231701D+00 -0.122604D+01 -0.501434D-01  0.153524D-01  0.307688D+00
               281           282           283           284           285 
      1  -0.852455D+00  0.307688D+00 -0.141352D+01 -0.692708D-01 -0.165219D-01
      2   0.235746D+01  0.252590D+00 -0.692708D-01 -0.846922D+01  0.510619D-01
      3   0.252590D+00  0.431210D+00 -0.165219D-01  0.510619D-01 -0.847534D+00
               286           287           288           289           290 
      1   0.105473D+01  0.342931D+00  0.744959D-01 -0.501382D+00  0.247338D+00
      2   0.342931D+00  0.137770D+01 -0.781076D+00  0.247338D+00  0.508355D+00
      3   0.744959D-01 -0.781076D+00 -0.972770D-01 -0.575349D+00  0.195735D+00
               291           292           293           294           295 
      1  -0.575349D+00  0.120412D+01  0.363199D+00  0.195609D+00 -0.190261D+01
      2   0.195735D+00  0.363199D+00  0.111252D+00 -0.427187D+00 -0.341233D+00
      3   0.329327D+00  0.195609D+00 -0.427187D+00  0.708215D+00 -0.760890D+00
               296           297 
      1  -0.341233D+00 -0.760890D+00
      2  -0.136374D+01 -0.306913D+00
      3  -0.306913D+00 -0.630182D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.155372D+01 -0.240661D+01  0.125612D+01 -0.708952D+01 -0.215376D+01
      2   0.323696D+01 -0.221394D+01  0.950766D+01 -0.279706D+01  0.183572D+01
      3   0.197549D+02 -0.196081D+01  0.303338D+01  0.786768D+01 -0.212284D+01
                 6             7             8             9            10 
      1  -0.216603D+01 -0.143636D+01  0.153701D+01 -0.207726D+00 -0.141889D+01
      2  -0.326297D+01 -0.391750D+01 -0.111544D+01  0.268841D+01  0.517719D+00
      3   0.220765D+01  0.157983D+02  0.251000D-01  0.281656D+01 -0.342735D+02
                11            12            13            14            15 
      1   0.275502D+00  0.166558D+01  0.208019D+01  0.399019D+01 -0.882136D+01
      2   0.797518D+00 -0.440534D+01  0.575891D+01  0.659290D-01  0.613760D+00
      3  -0.715339D+00  0.492734D+00  0.115280D+02 -0.109097D+01 -0.146307D+00
                16            17            18            19            20 
      1  -0.341756D+01 -0.128667D+01 -0.472240D+01 -0.336701D+00  0.155683D+01
      2  -0.275767D+02 -0.197443D+01 -0.248222D+01 -0.461692D+01 -0.204946D+01
      3  -0.142156D+01 -0.180505D+01 -0.150143D+01 -0.133102D+02 -0.130151D+01
                21            22            23            24            25 
      1  -0.123094D+01  0.591544D+01 -0.193354D+01 -0.351572D+01  0.530280D+01
      2   0.317574D+01 -0.442766D+01 -0.224173D+01  0.925302D+00 -0.453551D+00
      3   0.247236D+01  0.765750D+01  0.175260D+01 -0.283624D+01  0.199569D+02
                26            27            28            29            30 
      1   0.109583D+01 -0.163315D+01  0.207840D+01  0.635077D+00 -0.279378D+01
      2   0.683208D+00 -0.157964D+01  0.733853D+00  0.251605D+01 -0.408952D+01
      3  -0.135454D+01 -0.446157D+01  0.315105D+02  0.415066D+00 -0.306621D+01
                31            32            33            34            35 
      1  -0.189003D+01  0.440622D+01 -0.901319D+01 -0.537994D+01 -0.406982D+00
      2   0.619903D+01 -0.268868D-01  0.249799D+01 -0.290081D+02  0.352555D+01
      3   0.888007D+01  0.522017D+01  0.832173D+00 -0.740073D+01 -0.206821D+01
                36            37            38            39            40 
      1  -0.323188D+01 -0.268730D+01 -0.413986D+00 -0.981339D+00 -0.620361D+01
      2  -0.169877D+01  0.202003D+01 -0.275936D+01  0.857438D+01 -0.425562D+01
      3   0.196998D+01 -0.160949D+02 -0.548612D+00  0.309226D+01  0.136890D+02
                41            42            43            44            45 
      1   0.161660D+01  0.110912D+01 -0.227675D+01  0.337680D+01  0.224981D+01
      2   0.176062D+01 -0.216590D+01 -0.620993D+01 -0.993640D+00  0.264039D+01
      3  -0.550058D-02  0.259501D+01 -0.122342D+02  0.437113D+01  0.162543D+01
                46            47            48            49            50 
      1   0.135177D+01  0.974612D+00  0.246443D+01  0.911636D+01  0.142785D+01
      2  -0.336650D+01 -0.213141D+01  0.394863D+01 -0.440728D+01 -0.172841D+01
      3   0.149703D+02 -0.244038D+01 -0.578225D+00  0.141492D+02  0.904350D+00
                51            52            53            54            55 
      1  -0.249502D+01  0.280356D+01  0.328487D+01  0.475610D+00 -0.149146D+01
      2   0.118503D+01 -0.730440D+00  0.147064D+01 -0.226942D+01 -0.454751D+01
      3  -0.468727D+01 -0.118916D+02 -0.128140D+01 -0.133448D+01  0.196075D+02
                56            57            58            59            60 
      1  -0.174355D+00 -0.567870D+00 -0.304511D+00 -0.542688D+01 -0.863842D+00
      2   0.207967D+00 -0.144790D+00 -0.222708D+01 -0.105864D+02  0.172479D+01
      3   0.995036D+01  0.576388D+00  0.381160D+02 -0.873834D+00  0.589443D+01
                61            62            63            64            65 
      1   0.101452D+00  0.405432D+01  0.452294D+01  0.224843D+01  0.107804D+01
      2  -0.216689D+02  0.432085D+00  0.209154D+02  0.435382D+01  0.159158D+01
      3   0.112659D+02  0.111115D+02  0.181460D+01 -0.214897D+02 -0.199941D+02
                66            67            68            69            70 
      1  -0.164189D+01 -0.547956D+00 -0.151423D+01 -0.224196D+01  0.300987D+00
      2   0.126588D+02  0.532971D+01  0.103234D+02  0.520697D+00  0.125893D+02
      3  -0.180829D+01 -0.283523D+02  0.554876D+01 -0.849662D+01 -0.122446D+02
                71            72            73            74            75 
      1   0.440925D+01  0.446019D+01  0.215014D+01  0.217744D+01  0.459283D+01
      2   0.363094D+01 -0.340352D+02 -0.118851D+01 -0.420197D+01 -0.459174D+01
      3  -0.127609D+02 -0.289598D+01  0.269599D+02  0.342035D+01  0.779347D+00
                76            77            78            79            80 
      1   0.330537D+01  0.906968D+01  0.175214D+01  0.681301D+01  0.852680D+01
      2  -0.534676D+01 -0.104908D+02 -0.419023D+01 -0.117212D+02 -0.696881D+01
      3   0.102046D+02 -0.643042D+01  0.811679D+01  0.150640D+01  0.116519D+02
                81            82            83            84            85 
      1  -0.115318D+02 -0.355482D+00 -0.312518D+00  0.272093D+00 -0.189762D-01
      2   0.182065D+02 -0.634951D+01 -0.241602D+01 -0.147904D+02 -0.419417D+01
      3   0.340437D+01  0.937779D+01  0.187529D+02  0.300490D+01  0.386243D+02
                86            87            88            89            90 
      1   0.113351D+01 -0.225097D+01  0.662964D+00  0.103685D+01 -0.111929D+01
      2  -0.209622D+02 -0.116888D+01 -0.305053D+02 -0.159917D+01  0.263457D+02
      3  -0.140554D+02  0.216944D+02  0.526592D+01  0.220218D+02  0.208369D+01
                91            92            93            94            95 
      1   0.323973D+00  0.498475D+00  0.223215D+01  0.251650D+01 -0.168547D+01
      2  -0.451659D+01 -0.400714D+01 -0.107094D+00 -0.422791D+01 -0.271262D+01
      3  -0.436904D+01  0.117698D+01  0.365863D+01  0.378120D+02 -0.183005D+02
                96            97            98            99           100 
      1  -0.315837D+01  0.323267D+01  0.536753D+01 -0.163880D+01 -0.658824D+00
      2  -0.678943D+01 -0.166498D+02 -0.691201D+01  0.161722D+02  0.212173D+01
      3  -0.149180D+01  0.308756D+01  0.479561D+01  0.544788D+01  0.134777D+02
               101           102           103           104           105 
      1  -0.568337D+01 -0.564375D+01  0.369230D+00 -0.342982D+00  0.243002D+01
      2   0.355088D+01  0.447659D+01  0.215257D+01  0.167953D+01  0.142318D+02
      3  -0.130394D+02 -0.553544D+01 -0.604500D+01  0.471318D+01  0.267451D+01
               106           107           108           109           110 
      1  -0.758300D+01 -0.482420D+00 -0.395784D+01  0.420241D+01  0.297633D+01
      2  -0.498556D+01  0.108188D+02 -0.173458D+02  0.900145D+01 -0.252886D+01
      3  -0.148705D+02  0.159345D+02 -0.699066D+01 -0.340289D+00 -0.533764D+01
               111           112           113           114           115 
      1   0.415721D+01 -0.533807D+00 -0.386065D-01 -0.677228D+01  0.450090D+01
      2   0.916828D+01 -0.486729D+00  0.736155D+01 -0.108798D+02  0.487748D+01
      3   0.776304D+00 -0.633265D+01  0.119659D+02 -0.782984D+01  0.165113D+02
               116           117           118           119           120 
      1   0.537197D+01  0.114267D+02 -0.380529D+01  0.274212D+01  0.267927D+00
      2  -0.665799D+01  0.308150D+02 -0.536716D+01 -0.120200D+01  0.145714D+00
      3  -0.210908D+02  0.621557D+01 -0.220933D+01  0.747200D+01  0.436580D+01
               121           122           123           124           125 
      1   0.616576D+00 -0.530489D+01 -0.278243D+01 -0.231219D+01  0.763566D+01
      2  -0.294460D+01 -0.392166D+01 -0.219558D+01 -0.942230D+00 -0.798200D+01
      3   0.774016D+01 -0.180102D+02  0.230570D+01 -0.338179D+01  0.863162D+01
               126           127           128           129           130 
      1  -0.668697D+01 -0.180458D+01 -0.197611D+01  0.955630D+00 -0.192823D+00
      2  -0.152324D+02  0.442517D+01  0.932105D+00 -0.109251D+01  0.426517D+00
      3   0.869903D+01 -0.165454D+00 -0.950925D+00  0.814664D+00  0.813549D+00
               131           132           133           134           135 
      1  -0.141317D+01 -0.368319D-01  0.275136D+01  0.521010D+01 -0.471522D+01
      2  -0.910659D-01  0.565338D+00 -0.470622D+01 -0.357179D+00 -0.171253D+01
      3  -0.487627D+00  0.397912D+00  0.859272D+00  0.214506D+01 -0.158594D+01
               136           137           138           139           140 
      1  -0.234049D+01  0.296738D+01 -0.734672D+00  0.949930D+00 -0.114216D+01
      2  -0.788642D+01  0.168882D+01 -0.106570D+01  0.179611D+01 -0.465267D+00
      3   0.345429D+00 -0.147694D+01  0.711370D+00  0.232573D+00  0.132394D+01
               141           142           143           144           145 
      1  -0.548600D+00 -0.197625D+01  0.397467D+01 -0.260308D+01  0.167529D+01
      2   0.590482D-01 -0.408042D+01  0.555455D+00  0.974907D+00  0.426825D+01
      3  -0.367293D+00  0.536042D+00 -0.246867D+01  0.165191D+01  0.259806D+01
               146           147           148           149           150 
      1  -0.949118D+00 -0.221649D+01  0.104637D+01 -0.777304D-01 -0.344560D+01
      2   0.459459D+00 -0.103567D+01  0.627868D+00 -0.254317D+00  0.486471D+00
      3   0.208205D-01 -0.200337D+01  0.151289D+01 -0.374512D+00 -0.449396D+00
               151           152           153           154           155 
      1  -0.166061D+01  0.224751D+01  0.549276D+01  0.243245D+01  0.131843D+01
      2  -0.429779D+01 -0.342163D+00 -0.117384D+01 -0.552468D+01  0.296282D+00
      3  -0.224985D+01  0.838335D+00  0.180659D+01 -0.504989D+01 -0.803590D+00
               156           157           158           159           160 
      1   0.219105D+01 -0.141838D+01  0.142953D+00 -0.361442D+01  0.235250D+01
      2  -0.387403D+00  0.126130D+01  0.126122D+00 -0.823384D+00 -0.285386D+01
      3  -0.227721D+01  0.420237D+01  0.557361D+00  0.846814D+00 -0.297651D+01
               161           162           163           164           165 
      1   0.145879D+01  0.405482D+01 -0.132383D+01 -0.613558D+00  0.111576D+01
      2  -0.131836D+00  0.197640D+01 -0.519316D+01  0.700986D+00  0.538669D+01
      3  -0.123762D+01 -0.192412D+01 -0.184341D+01 -0.348152D+01  0.605038D+00
               166           167           168           169           170 
      1   0.109740D+00 -0.349429D+00 -0.856604D+00  0.217351D+01  0.221155D+01
      2   0.668829D+00 -0.125854D+01  0.586544D+00  0.238906D+01 -0.394497D+01
      3  -0.347792D+01  0.291031D+00  0.185624D+01  0.305811D+01  0.405414D+01
               171           172           173           174           175 
      1  -0.630487D+01  0.923637D+00 -0.105804D+01  0.134888D+01 -0.153584D+01
      2  -0.206535D+02  0.505931D+01 -0.145584D+01  0.305282D+01 -0.269897D+01
      3   0.306007D+00  0.967163D+00 -0.719568D+01 -0.298454D+00 -0.441335D+01
               176           177           178           179           180 
      1   0.351701D+01 -0.330672D+01  0.149071D+01 -0.124179D+01  0.110581D+01
      2   0.567997D+01 -0.356781D+01  0.362375D+01 -0.411905D+01  0.701098D+00
      3   0.183306D+02 -0.190773D+01 -0.387676D+01 -0.654155D+01  0.193516D+01
               181           182           183           184           185 
      1  -0.261143D+01 -0.154225D+01  0.795591D+00 -0.110448D+01 -0.344548D+00
      2   0.805239D+01  0.712373D+00 -0.458459D+01  0.220084D+01  0.370599D+01
      3   0.277990D+01  0.267710D+01  0.409899D+00  0.543379D+01 -0.658655D+00
               186           187           188           189           190 
      1  -0.509706D+00  0.152665D+01  0.340457D+01 -0.401995D+01  0.426334D+00
      2  -0.843992D+00 -0.843750D+01 -0.107079D+01  0.305296D+02 -0.147098D+01
      3  -0.280115D+01  0.112125D+00 -0.383353D+01 -0.180926D+00 -0.265757D+02
               191           192           193           194           195 
      1   0.646594D+00  0.220739D+01  0.896071D-01 -0.911504D+00 -0.109643D+01
      2   0.451668D+00 -0.310281D+00  0.349690D+00  0.851417D+00  0.263164D+00
      3   0.659301D+01  0.707682D+00  0.668210D+01 -0.402491D+01 -0.122675D+01
               196           197           198           199           200 
      1   0.235604D+01  0.566433D+00  0.604362D+00  0.227172D+01 -0.342122D-01
      2  -0.349996D+01  0.118604D+01 -0.991607D+00 -0.331146D+01 -0.113189D+01
      3   0.100971D+01 -0.235679D+01 -0.290607D+01 -0.251445D+01 -0.332361D+01
               201           202           203           204           205 
      1  -0.280990D+01  0.269090D+00  0.125161D+01 -0.223302D+01 -0.294816D+01
      2   0.482196D+01 -0.363021D+00 -0.219356D+01  0.145670D+01  0.873856D+00
      3  -0.356686D+00 -0.496782D+00 -0.165425D+01  0.218137D+01 -0.204509D+01
               206           207           208           209           210 
      1  -0.269427D+00  0.149156D+02 -0.275060D+01 -0.219228D+01 -0.374434D+01
      2   0.624529D+01 -0.224149D+02  0.360729D+01  0.310865D+01  0.456287D+01
      3   0.703317D+01 -0.522306D+01 -0.488224D+01 -0.931887D+01 -0.690594D+00
               211           212           213           214           215 
      1  -0.350653D+01 -0.563799D+01 -0.574024D+01 -0.360229D+01 -0.346172D+01
      2   0.324199D+01  0.754391D+01  0.583253D+01  0.368025D+01  0.690749D+01
      3  -0.359579D+01 -0.187776D+02 -0.496390D+01 -0.957746D+00 -0.103047D+02
               216           217           218           219           220 
      1  -0.350563D+01  0.290839D+00 -0.391778D+00 -0.506603D-01  0.137334D+00
      2   0.429324D+01 -0.941690D+01  0.235288D+00  0.108978D+02 -0.595658D-01
      3  -0.453443D+01 -0.608129D+00 -0.421684D+01 -0.331244D+00 -0.497193D+01
               221           222           223           224           225 
      1   0.370609D-01 -0.841062D+00 -0.646994D+00  0.251797D+01  0.913274D+00
      2  -0.256471D+01  0.620907D+00  0.160201D+02 -0.112063D+00 -0.357784D+02
      3   0.983132D+00  0.221471D+01 -0.827525D+00  0.599764D+01 -0.178284D+00
               226           227           228           229           230 
      1  -0.742547D+00  0.702980D+00  0.421334D+00  0.789754D+00 -0.245053D+01
      2   0.438970D+01 -0.242416D+01  0.512297D+01 -0.403402D+01  0.105362D+02
      3   0.955234D+01 -0.109730D+02  0.293619D+01 -0.153970D+02  0.336151D+02
               231           232           233           234           235 
      1  -0.161039D+01 -0.245154D+00  0.178398D+01  0.184788D+00  0.285915D+00
      2  -0.932704D+01  0.689486D+01 -0.722706D+01  0.561465D+01  0.836455D+01
      3  -0.109503D+02  0.446986D+01 -0.126014D+02  0.699500D+01 -0.125822D+02
               236           237           238           239           240 
      1   0.820519D+00 -0.896807D+00  0.290607D+00  0.119471D+01 -0.151598D+01
      2   0.438313D+01  0.922113D+01  0.696622D+01  0.944261D+01  0.968033D+01
      3  -0.129534D+02 -0.500370D+01 -0.173496D+02 -0.201942D+02 -0.101480D+02
               241           242           243           244           245 
      1  -0.663704D+00  0.150302D+01 -0.672021D+00  0.368829D+00 -0.314968D+00
      2   0.116108D+02  0.728094D+01  0.867962D+01 -0.593536D+01  0.190035D-01
      3  -0.727614D+01 -0.121253D+02 -0.735285D+01 -0.293361D+01 -0.182592D+01
               246           247           248           249           250 
      1  -0.879320D+00 -0.529843D-01 -0.135121D-01 -0.105938D+01 -0.124464D+01
      2   0.389423D+01  0.979765D-01 -0.269795D+01  0.433595D+01  0.138983D+01
      3  -0.480402D+00 -0.936802D+00 -0.121161D+01  0.297077D+01 -0.893164D+00
               251           252           253           254           255 
      1   0.263352D+01  0.340502D+01 -0.205421D+01  0.103084D+01 -0.240345D+01
      2   0.391718D+01 -0.193641D+02  0.150234D+02  0.392462D+01  0.654002D+01
      3   0.392304D+01 -0.240038D+01 -0.163318D+02 -0.168270D+02 -0.170287D+00
               256           257           258           259           260 
      1  -0.152157D+01 -0.609730D+01 -0.382548D+01 -0.829137D+00  0.126342D+01
      2   0.534226D+01  0.495447D+01  0.625519D+01  0.487051D+01  0.515255D+01
      3  -0.833381D+01  0.216607D+02 -0.388662D+01  0.522434D+00 -0.708656D+01
               261           262           263           264           265 
      1   0.927421D+01  0.946998D+00 -0.148928D+01  0.738324D+00 -0.288395D+01
      2  -0.189789D+02 -0.801828D+00  0.559317D+00  0.134950D+01  0.405861D+00
      3  -0.457411D+01  0.343746D+01 -0.540989D+01 -0.200683D+01 -0.595971D+01
               266           267           268           269           270 
      1   0.916186D+01 -0.223701D+01  0.413145D+00 -0.105927D+01  0.938757D+00
      2  -0.429852D+01 -0.577110D+01  0.314417D+00 -0.192659D+01 -0.136511D+01
      3   0.321509D+02  0.658888D+01  0.181464D+01 -0.549612D+01  0.182397D+01
               271           272           273           274           275 
      1   0.117312D+01  0.539275D+00 -0.230828D+01  0.934980D+00  0.706491D+00
      2  -0.795387D+01 -0.258446D+00  0.774472D+01 -0.938229D+00 -0.145139D+01
      3   0.152354D+02 -0.571430D+01 -0.110801D+01 -0.386600D+01 -0.751307D+00
               276           277           278           279           280 
      1  -0.157568D+00 -0.216687D+01  0.562490D+00 -0.148301D+00  0.148775D+01
      2  -0.498474D+00  0.466198D+01 -0.984091D-01 -0.144143D+00 -0.107573D+01
      3   0.866170D+00 -0.152413D+01  0.194770D+01  0.182312D+01 -0.534070D+01
               281           282           283           284           285 
      1  -0.768914D+00  0.169744D+01 -0.433755D+00  0.511809D+01 -0.405049D+01
      2  -0.108734D+01 -0.132297D+01 -0.829419D+00  0.332537D-02  0.287870D+01
      3   0.911326D+01 -0.115785D+00  0.543063D+01 -0.312644D+02  0.713987D+00
               286           287           288           289           290 
      1   0.741726D+00 -0.112819D+01  0.477328D+00 -0.181010D+01 -0.619090D+00
      2  -0.166695D+01  0.261364D+01  0.479924D+00  0.433993D+01 -0.244641D-01
      3  -0.116173D+01  0.443041D+01 -0.296867D+01  0.142647D+01  0.106747D+01
               291           292           293           294           295 
      1   0.523749D+00 -0.290842D+00 -0.217897D+01  0.101630D+01 -0.220635D+00
      2  -0.186341D+01  0.141239D+01  0.207519D+01 -0.323566D+01 -0.189714D+01
      3   0.115200D+01  0.964890D+00  0.185919D+00 -0.177673D+01  0.145918D+01
               296           297 
      1   0.345148D+01 -0.115613D+02
      2   0.198869D+00  0.251960D+02
      3  -0.449964D+01  0.594100D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.391872D+01 -0.812737D+01  0.200008D+02  0.187845D+02 -0.313039D+01
      2   0.759301D+01  0.390666D+01 -0.766020D+01 -0.480597D+01  0.404678D+01
      3  -0.367429D+01  0.422071D+01 -0.123406D+02 -0.139785D+02 -0.916388D+00
      4  -0.561992D+00  0.260364D+01  0.340330D-01  0.861951D+01  0.473699D+01
      5   0.180935D+02  0.104259D+01 -0.760013D+01 -0.497443D+01 -0.253632D+01
      6   0.234084D+00 -0.263714D+01  0.376966D+00 -0.597017D+00  0.405117D+01
                 6             7             8             9            10 
      1  -0.172600D+02 -0.257148D+02 -0.968397D+01  0.558933D+01  0.575087D+02
      2   0.128690D+01  0.405937D+01  0.160751D+01  0.418206D+01 -0.229803D+02
      3   0.159731D+02  0.216555D+02  0.807646D+01 -0.977139D+01 -0.345284D+02
      4  -0.398061D+01  0.391758D+01 -0.209786D+01 -0.510702D+01 -0.125722D+02
      5  -0.446325D+01  0.819902D+01 -0.466479D+01  0.644398D+01 -0.508438D+01
      6   0.119708D+02 -0.720289D+01  0.448366D+01  0.142219D+02  0.214673D+01
                11            12            13            14            15 
      1   0.729063D+01 -0.819422D+00  0.976301D+01 -0.570004D+00  0.639551D+01
      2  -0.584922D+01  0.314565D+01 -0.104622D+02  0.691816D+01 -0.768578D+00
      3  -0.144141D+01 -0.232623D+01  0.699185D+00 -0.634815D+01 -0.562693D+01
      4   0.155141D+01 -0.370344D+01  0.182898D+02 -0.568589D+01 -0.118090D+01
      5  -0.429963D+01  0.733904D+01  0.102732D+02 -0.106126D+01 -0.174205D+01
      6   0.638731D+00 -0.579903D+01 -0.519792D+01  0.394484D+01  0.803769D+01
                16            17            18            19            20 
      1  -0.819214D+01  0.628211D+01 -0.181127D+02 -0.526569D+00  0.539834D+01
      2  -0.645796D+00  0.399045D+01  0.177151D+01 -0.219422D+01 -0.267932D+01
      3   0.883793D+01 -0.102726D+02  0.163412D+02  0.272079D+01 -0.271902D+01
      4   0.133776D+02  0.176464D+01 -0.199239D+01  0.273283D+01 -0.591786D+00
      5  -0.126142D+02 -0.174320D+01 -0.416199D+01 -0.158436D+02  0.268312D+01
      6  -0.451776D+01  0.223206D+01 -0.452147D+01  0.284356D+01  0.401876D+01
                21            22            23            24            25 
      1  -0.248566D+02 -0.107959D+02 -0.472372D+01 -0.595533D+01  0.269298D+02
      2   0.667441D+01 -0.175866D+01  0.616319D+01 -0.104492D+00 -0.165061D+01
      3   0.181822D+02  0.125546D+02 -0.143946D+01  0.605982D+01 -0.252792D+02
      4   0.254677D+01  0.334790D+01 -0.220207D+01  0.415304D+01  0.456022D+01
      5  -0.269036D+01  0.105484D+01  0.250514D+01  0.661934D+01  0.108706D+02
      6   0.467559D+01  0.252432D+01  0.236685D+01  0.700712D+01  0.107843D+02
                26            27            28            29            30 
      1  -0.872893D+01  0.790732D+01  0.231429D+02 -0.144323D+01  0.146258D+01
      2   0.205570D+01 -0.211482D+01 -0.516552D+01  0.510436D+01  0.983682D+00
      3   0.667324D+01 -0.579251D+01 -0.179774D+02 -0.366113D+01 -0.244626D+01
      4   0.413993D+01  0.731268D+01  0.243459D+02  0.288380D+01 -0.176142D+01
      5   0.548184D+01 -0.464970D+01  0.296997D+01 -0.119275D+01  0.768449D+01
      6   0.163841D+01  0.100018D+02  0.499111D+01 -0.998047D+00  0.452098D+01
                31            32            33            34            35 
      1  -0.395638D+00 -0.380303D+00  0.791817D+01 -0.885930D+01  0.100425D+02
      2   0.680864D+01  0.482328D+01 -0.220769D+01  0.218280D+01  0.179934D+01
      3  -0.641300D+01 -0.444298D+01 -0.571048D+01  0.667650D+01 -0.118418D+02
      4   0.176335D+02  0.103728D+00  0.164172D+01  0.113823D+02  0.548539D+01
      5   0.116795D+02  0.132024D+00  0.109662D+01 -0.157862D+02  0.259303D+01
      6  -0.134910D+01  0.373548D+01  0.601035D+01 -0.133971D+01  0.220200D+01
                36            37            38            39            40 
      1  -0.206179D+02  0.823086D+01 -0.106485D+02  0.218316D+02  0.404619D+01
      2   0.311022D+01  0.950676D-01  0.923483D+01 -0.115930D+02  0.467025D+01
      3   0.175077D+02 -0.832593D+01  0.141366D+01 -0.102386D+02 -0.871644D+01
      4   0.631738D+00 -0.887125D+01 -0.171916D+01  0.441492D+01  0.164178D+02
      5  -0.310475D+01  0.119635D+02  0.228168D+01 -0.940227D+01 -0.186010D+01
      6  -0.687646D+01 -0.656610D+00 -0.494466D+01  0.486643D+01 -0.171351D+00
                41            42            43            44            45 
      1  -0.102931D+02 -0.741945D+01 -0.215653D+02 -0.463182D+01  0.972680D+01
      2   0.155457D+02 -0.102194D+02  0.233166D+01 -0.278744D+01 -0.954014D+00
      3  -0.525254D+01  0.176388D+02  0.192337D+02  0.741926D+01 -0.877279D+01
      4   0.703884D+01 -0.312180D+01 -0.228022D+01 -0.330890D+01 -0.675843D+01
      5  -0.165905D+01 -0.277721D+01  0.671927D+01 -0.621193D+01  0.880192D+01
      6  -0.613896D+01  0.594999D+01 -0.106713D+02  0.261975D+00  0.918763D+01
                46            47            48            49            50 
      1  -0.689290D+01  0.813433D+01 -0.239223D+02 -0.652945D+01 -0.157302D+02
      2   0.297259D+01 -0.685757D+01  0.769234D+01 -0.548668D+01  0.213581D+02
      3   0.392031D+01 -0.127676D+01  0.162299D+02  0.120161D+02 -0.562782D+01
      4   0.867969D+01  0.107831D+01  0.469437D+01  0.497784D+01 -0.656686D+01
      5  -0.130138D+02  0.533436D+01 -0.417747D+01  0.631156D+01  0.229186D+01
      6   0.430384D+01  0.423388D+01 -0.411550D+01 -0.299366D+00 -0.567096D+01
                51            52            53            54            55 
      1   0.297282D+01  0.377633D+02 -0.406294D+01  0.877423D+01 -0.468236D+02
      2  -0.104123D+02 -0.101232D+02 -0.158154D+00 -0.453325D+01  0.158434D+02
      3   0.743947D+01 -0.276401D+02  0.422109D+01 -0.424098D+01  0.309802D+02
      4   0.144149D+01 -0.321920D+01 -0.113173D+01  0.756822D+01  0.375468D+01
      5   0.640779D+01  0.282079D+01  0.676830D+01 -0.722628D+01 -0.229858D+01
      6   0.378469D+01  0.115744D+02 -0.295813D+01  0.771659D+01  0.143845D+01
                56            57            58            59            60 
      1  -0.956122D+01 -0.321562D+01 -0.436966D+02 -0.302890D+02 -0.454813D+01
      2   0.713657D+01 -0.169991D+01  0.301798D+02  0.349219D+01  0.483732D+01
      3   0.242466D+01  0.491553D+01  0.135168D+02  0.267968D+02 -0.289188D+00
      4  -0.246158D+02 -0.212471D+00 -0.532229D+02  0.276802D+02 -0.118777D+02
      5  -0.422772D+00 -0.102405D+02 -0.461970D+01 -0.121741D+02  0.119886D+01
      6   0.495139D+00  0.165449D+01 -0.991718D+00  0.402543D+01 -0.254635D+00
                61            62            63            64            65 
      1  -0.324025D+02 -0.772337D+01 -0.680095D+01 -0.455054D+02  0.154258D+02
      2   0.565811D+01  0.704258D+01  0.118025D+02  0.302222D+02 -0.313033D+01
      3   0.267444D+02  0.680785D+00 -0.500158D+01  0.152832D+02 -0.122954D+02
      4  -0.515936D+01 -0.211128D+02  0.704378D+01  0.164141D+02  0.287372D+02
      5  -0.244595D+02  0.442082D+01  0.389670D+02 -0.939607D+00  0.315630D+01
      6   0.370960D+01 -0.191431D+01 -0.665562D+01  0.106002D+01 -0.227123D+01
                66            67            68            69            70 
      1  -0.224437D+01  0.589597D+02  0.497260D+02 -0.141333D+00  0.229788D+02
      2  -0.166353D+01 -0.256279D+02 -0.262633D+02  0.187715D+01 -0.880713D+01
      3   0.390789D+01 -0.333318D+02 -0.234627D+02 -0.173581D+01 -0.141716D+02
      4   0.271769D+01  0.477860D+02 -0.140211D+02  0.155749D+02  0.669155D+01
      5   0.177822D+02  0.751973D+01  0.177192D+02  0.296392D+01  0.344688D+02
      6   0.299673D+01  0.326163D+01  0.452548D+01 -0.423354D+00  0.292160D+01
                71            72            73            74            75 
      1   0.235929D+01  0.334960D+02  0.522392D+02 -0.803786D+01 -0.752602D+01
      2   0.300060D+01 -0.842349D+01 -0.365785D+02 -0.708653D+01 -0.218882D+00
      3  -0.535989D+01 -0.250725D+02 -0.156607D+02  0.151244D+02  0.774491D+01
      4   0.199048D+02  0.523127D+01 -0.489500D+01 -0.308440D+02 -0.822259D+01
      5   0.443290D+01 -0.566934D+02 -0.733090D+01 -0.600509D+01 -0.123400D+02
      6   0.446774D+01 -0.672267D+01 -0.708578D+01 -0.247317D+01 -0.890123D+01
                76            77            78            79            80 
      1  -0.125390D+02 -0.317006D+02  0.302813D+01 -0.129020D+02  0.198983D+01
      2  -0.617532D+01  0.119245D+02 -0.116387D+02 -0.141248D+01 -0.147703D+02
      3   0.187143D+02  0.197761D+02  0.861053D+01  0.143144D+02  0.127805D+02
      4  -0.363059D+02 -0.137147D+02 -0.207649D+02 -0.929591D+01 -0.302277D+02
      5  -0.657932D+01 -0.202566D+02 -0.853747D+01 -0.204976D+02 -0.150251D+02
      6  -0.562986D+01 -0.165785D+02 -0.415969D+01 -0.107871D+02 -0.897852D+01
                81            82            83            84            85 
      1  -0.812899D+01  0.566158D+02 -0.185866D+02 -0.598665D+01 -0.331525D+02
      2   0.776167D+01 -0.306456D+02  0.872360D+01  0.134860D+01  0.156750D+02
      3   0.367313D+00 -0.259702D+02  0.986298D+01  0.463805D+01  0.174775D+02
      4  -0.197757D+02 -0.218678D+02 -0.394520D+02 -0.617886D+01 -0.624379D+02
      5   0.397907D+02 -0.974126D+01 -0.665730D+01 -0.322334D+02 -0.111356D+02
      6   0.197626D+02 -0.176771D+01 -0.487008D+01 -0.217906D+01 -0.934750D+01
                86            87            88            89            90 
      1  -0.548784D+02 -0.679769D+01 -0.174179D+02 -0.668572D+01 -0.440107D+02
      2   0.264609D+02  0.260299D+01  0.482822D+01  0.236668D+01  0.245593D+02
      3   0.284174D+02  0.419471D+01  0.125896D+02  0.431904D+01  0.194514D+02
      4   0.235085D+02 -0.411752D+02 -0.107294D+02 -0.405160D+02 -0.509137D+01
      5  -0.442998D+02 -0.427580D+01 -0.529280D+02 -0.403554D+01  0.493845D+02
      6   0.403514D+00 -0.499291D+01 -0.356904D+01 -0.535227D+01  0.132325D+01
                91            92            93            94            95 
      1   0.893746D+01 -0.356101D+01 -0.924200D+00 -0.827194D+01 -0.194719D+02
      2  -0.905720D+01 -0.234049D+01 -0.123803D+01  0.482351D+01  0.710416D+01
      3   0.119741D+00  0.590151D+01  0.216223D+01  0.344843D+01  0.123678D+02
      4  -0.206936D+02 -0.172537D+02 -0.849049D+01 -0.472945D+02  0.182369D+02
      5  -0.620389D+01 -0.780133D+01 -0.908111D+01 -0.144271D+02 -0.138635D+01
      6  -0.553195D+01 -0.212729D+01 -0.446072D+01 -0.241093D+01 -0.570275D+01
                96            97            98            99           100 
      1  -0.706773D+01 -0.155362D+02 -0.948973D+01 -0.136670D+01 -0.764740D+01
      2   0.426049D+00 -0.780039D+00 -0.115516D+01  0.763465D+01  0.162602D+01
      3   0.664168D+01  0.163162D+02  0.106449D+02 -0.626795D+01  0.602138D+01
      4  -0.997539D+00 -0.209703D+02 -0.148851D+02 -0.168447D+02  0.157752D+02
      5  -0.131997D+02 -0.150229D+02 -0.158211D+02  0.319240D+02 -0.174599D+02
      6  -0.341002D+01 -0.847635D+01 -0.288019D+01  0.934554D+01  0.529101D+01
               101           102           103           104           105 
      1   0.706276D+01 -0.843175D+01  0.225087D+02  0.337701D+01  0.101585D+02
      2  -0.697699D+00  0.597108D+01 -0.169318D+02  0.468052D+01 -0.290931D+01
      3  -0.636506D+01  0.246066D+01 -0.557687D+01 -0.805753D+01 -0.724915D+01
      4  -0.296100D+01  0.776487D+01  0.945576D+00 -0.209168D+02 -0.356666D+01
      5   0.706512D+01 -0.413955D+01  0.813582D+01 -0.328000D+01  0.264853D+02
      6  -0.575491D+01  0.606037D+01 -0.962687D+00 -0.155970D+01 -0.156118D+02
               106           107           108           109           110 
      1  -0.278774D+02  0.122020D+02 -0.582290D+01  0.466068D+02 -0.139562D+02
      2   0.984376D+01  0.375302D+01  0.405332D+01 -0.221601D+02  0.445163D+01
      3   0.180336D+02 -0.159550D+02  0.176958D+01 -0.244466D+02  0.950457D+01
      4   0.249964D+02 -0.231554D+02  0.221931D+02 -0.264117D+02  0.211796D+02
      5  -0.213617D+02  0.203098D+02 -0.240332D+02  0.323479D+02 -0.647034D+01
      6   0.117658D+02 -0.181858D+02  0.542767D+01 -0.111719D+02  0.413682D+01
               111           112           113           114           115 
      1   0.248692D+02 -0.182736D+02  0.469321D+01 -0.185754D+01  0.460938D+02
      2  -0.149135D+02  0.378760D+01  0.666603D+01 -0.120332D+01 -0.216561D+02
      3  -0.995570D+01  0.144860D+02 -0.113592D+02  0.306086D+01 -0.244377D+02
      4  -0.105500D+02  0.262677D+02 -0.224880D+02  0.179670D+02 -0.287923D+02
      5   0.231376D+02 -0.124692D+02  0.174304D+02 -0.204183D+02  0.374711D+02
      6  -0.763620D+01  0.590570D+01 -0.116214D+02  0.177458D+02 -0.111811D+02
               116           117           118           119           120 
      1  -0.624861D+01  0.113560D+02  0.610749D+00 -0.100911D+02 -0.130620D+02
      2  -0.374860D+01 -0.157136D+02 -0.377640D+01  0.130292D+02  0.837263D+01
      3   0.999720D+01  0.435764D+01  0.316566D+01 -0.293808D+01  0.468941D+01
      4   0.356602D+02 -0.192925D+02  0.123822D+01 -0.827149D+01  0.289481D+01
      5  -0.178594D+02  0.602092D+02 -0.819480D+01 -0.174021D+01  0.596369D+01
      6   0.165375D+02 -0.273926D+02  0.337692D+01  0.581642D+01  0.137866D+01
               121           122           123           124           125 
      1  -0.684310D+01 -0.543783D+01 -0.588930D+01 -0.152241D+02 -0.740879D+01
      2   0.153636D+02 -0.185176D+02  0.145925D+01  0.817100D+01  0.671851D+01
      3  -0.852050D+01  0.239555D+02  0.443005D+01  0.705314D+01  0.690284D+00
      4  -0.125385D+02  0.497066D+02 -0.136345D+01  0.135197D+02 -0.162269D+02
      5   0.100431D+01 -0.716739D+00 -0.521593D+01  0.181392D+02 -0.181449D+02
      6   0.313147D+01  0.747927D+00  0.106266D+02 -0.739100D+01  0.208146D+02
               126           127           128           129           130 
      1  -0.914340D+01 -0.106616D+01 -0.697085D-01  0.351787D+01 -0.294651D+01
      2  -0.680301D+01 -0.523856D+01 -0.128710D+01  0.553031D+01 -0.546072D+00
      3   0.159464D+02  0.630472D+01  0.135680D+01 -0.904818D+01  0.349258D+01
      4  -0.159744D+02  0.115042D+01  0.242234D+01 -0.908517D+00  0.134355D+01
      5  -0.340329D+02 -0.932189D+01 -0.261550D+01  0.121541D+02 -0.277625D+01
      6   0.230953D+02  0.171201D+00 -0.156973D+01 -0.479182D+00 -0.128262D+01
               131           132           133           134           135 
      1  -0.374123D+01  0.818485D+01  0.394705D+01  0.501964D+01 -0.250522D+02
      2  -0.502335D+00  0.313420D+01  0.678625D+01  0.212857D+01 -0.146458D+02
      3   0.424356D+01 -0.113191D+02 -0.107333D+02 -0.714822D+01  0.396981D+02
      4   0.116687D+01 -0.152002D+01 -0.178602D+01 -0.310128D+01  0.212155D+01
      5  -0.283233D+01  0.447164D+01  0.118746D+02  0.408295D+01 -0.192012D+02
      6  -0.306383D+01  0.263538D+01  0.998472D+00  0.554090D+01 -0.281939D+01
               136           137           138           139           140 
      1   0.320280D+01  0.472229D-01 -0.157896D+01  0.200449D+00 -0.207865D+01
      2  -0.554686D+01  0.101496D+01 -0.427223D+01  0.220758D+01 -0.313818D+00
      3   0.234406D+01 -0.106218D+01  0.585119D+01 -0.240803D+01  0.239247D+01
      4  -0.239410D+01  0.366751D+01 -0.132933D+01  0.242526D+01 -0.287585D+01
      5   0.114821D+02 -0.308006D+01  0.101430D+02 -0.446866D+01  0.332919D+01
      6  -0.591275D+00  0.175983D+01 -0.893231D+00  0.870019D+00 -0.284493D+01
               141           142           143           144           145 
      1   0.513650D+01 -0.400279D+01  0.407043D+01 -0.129078D+02 -0.292136D+01
      2   0.211025D+01 -0.528871D+01  0.108901D+01 -0.853786D+01 -0.288373D+01
      3  -0.724675D+01  0.929150D+01 -0.515944D+01  0.214457D+02  0.580509D+01
      4   0.144828D+01 -0.206547D+01  0.318874D+01 -0.262224D+01  0.553983D+01
      5  -0.588779D+01  0.125145D+02 -0.449176D+01  0.163574D+02 -0.948946D+01
      6   0.241395D+01 -0.192820D+01  0.475013D+01 -0.358884D+01 -0.581976D+01
               146           147           148           149           150 
      1  -0.176588D+01  0.566277D+01 -0.313185D+01 -0.529252D+01  0.938122D+01
      2   0.188522D+00  0.304508D+01 -0.349288D+00  0.135620D+01  0.272878D+00
      3   0.157736D+01 -0.870785D+01  0.348114D+01  0.393632D+01 -0.965410D+01
      4   0.366290D+01 -0.555985D+01  0.251019D+01  0.197591D+01 -0.308938D+01
      5  -0.367536D+01  0.124213D+02 -0.337816D+01 -0.294951D+01  0.435063D+01
      6  -0.348390D+01  0.637262D+01 -0.314481D+01 -0.580698D+01  0.931336D+01
               151           152           153           154           155 
      1   0.803025D+01  0.112077D+02 -0.307986D+02  0.254934D+01  0.255256D+01
      2   0.231723D+01 -0.265228D+01 -0.615276D+01 -0.322979D+01 -0.215981D+01
      3  -0.103475D+02 -0.855538D+01  0.369514D+02  0.680443D+00 -0.392750D+00
      4  -0.588983D+01 -0.513771D+01  0.826630D+01 -0.109222D+02  0.765056D+01
      5   0.112453D+02  0.555726D+01 -0.186639D+02  0.157778D+02 -0.627230D+01
      6   0.854899D+01  0.128569D+02 -0.239913D+02 -0.909167D+01  0.592581D+01
               156           157           158           159           160 
      1  -0.218645D+01  0.979045D+00 -0.421033D+01  0.558113D+01 -0.458971D+01
      2  -0.219019D+01  0.771601D+00  0.228390D+01 -0.244362D+00 -0.256927D+01
      3   0.437664D+01 -0.175065D+01  0.192643D+01 -0.533677D+01  0.715898D+01
      4  -0.851699D+01  0.497777D+01 -0.556873D+01  0.605462D+01 -0.897024D+01
      5   0.142756D+02 -0.738093D+01  0.522787D+01 -0.824819D+01  0.155055D+02
      6  -0.896287D+01  0.561541D+01 -0.644536D+01  0.881098D+01 -0.106686D+02
               161           162           163           164           165 
      1   0.845514D+01 -0.162075D+02  0.804674D+01  0.434087D+00 -0.726987D+01
      2  -0.352626D+01 -0.280100D+01 -0.796870D+01 -0.652419D+00  0.636872D+01
      3  -0.492888D+01  0.190085D+02 -0.780399D-01  0.218332D+00  0.901149D+00
      4   0.738405D+01 -0.108813D+02 -0.184851D+01  0.695570D+01  0.407472D+01
      5  -0.797613D+01  0.208136D+02 -0.137029D+02  0.268294D+01  0.148431D+02
      6   0.118055D+02 -0.187656D+02  0.219593D+01 -0.137913D+01 -0.221176D+01
               166           167           168           169           170 
      1   0.886670D+01  0.186039D+01 -0.180768D+01 -0.145826D+02 -0.313713D+01
      2  -0.547146D+01 -0.730797D+00  0.140237D+01  0.135941D+02  0.436136D+00
      3  -0.339524D+01 -0.112959D+01  0.405308D+00  0.988522D+00  0.270100D+01
      4   0.756935D+01 -0.391462D+01 -0.469561D+01  0.575910D+01 -0.839245D+01
      5  -0.590473D+00 -0.499704D+01  0.986462D+00  0.224277D+02 -0.832777D+01
      6  -0.167013D+01  0.152413D+01  0.526921D+01 -0.522857D+01  0.629735D+01
               171           172           173           174           175 
      1  -0.555230D+01  0.227094D+02 -0.890379D+01  0.385416D+01 -0.149453D+02
      2  -0.137255D+02 -0.450239D+01 -0.587847D+00 -0.876570D+00 -0.314481D+01
      3   0.192778D+02 -0.182070D+02  0.949163D+01 -0.297759D+01  0.180901D+02
      4  -0.110659D+02 -0.223580D+02  0.242229D+02 -0.162658D+01  0.365717D+02
      5  -0.449945D+02  0.467351D+01 -0.428556D+00  0.472388D+01 -0.110189D+01
      6   0.121055D+02 -0.108415D+01 -0.217781D+00 -0.116422D+01  0.524735D+00
               176           177           178           179           180 
      1   0.228052D+00  0.387280D+00  0.206558D+02  0.123118D+01  0.145422D+01
      2   0.215540D+02 -0.266951D+01 -0.632323D+01 -0.470557D+01  0.680037D-02
      3  -0.217820D+02  0.228223D+01 -0.143325D+02  0.347440D+01 -0.146102D+01
      4  -0.528706D+02  0.611080D+01 -0.956745D+01  0.155709D+02 -0.898838D+01
      5   0.554325D+01 -0.575505D+01  0.889442D+01 -0.788327D+01  0.220724D+01
      6  -0.121171D+01  0.447220D+01 -0.351392D+01  0.563539D+01 -0.214405D+01
               181           182           183           184           185 
      1  -0.254232D+01 -0.306316D+01  0.115045D+02 -0.961436D+01 -0.115418D+02
      2  -0.249369D+01  0.736859D+00 -0.336920D+01  0.423961D+01  0.514821D+01
      3   0.503601D+01  0.232630D+01 -0.813526D+01  0.537475D+01  0.639363D+01
      4  -0.468680D+01 -0.426208D+01  0.417963D-01 -0.346386D+01  0.104593D+01
      5   0.760118D+01 -0.360119D+00 -0.234399D+01  0.998512D+00  0.459768D+01
      6   0.125575D+01  0.393511D-01 -0.149378D+01 -0.451188D+00  0.167747D+00
               186           187           188           189           190 
      1  -0.195702D+00  0.207616D+02 -0.657466D+00 -0.234104D+02 -0.552452D+02
      2   0.907899D+00 -0.932751D+01  0.132570D+01 -0.891040D+01  0.318100D+02
      3  -0.712197D+00 -0.114341D+02 -0.668238D+00  0.323208D+02  0.234353D+02
      4   0.415715D+01  0.150980D+01  0.667382D+01 -0.205149D+01 -0.166108D+02
      5  -0.947401D+00 -0.252524D+00 -0.583004D+00  0.526752D+02  0.318618D+01
      6   0.653330D+01 -0.206622D+00  0.331769D+01  0.675747D+01  0.259669D+01
               191           192           193           194           195 
      1   0.151190D+02  0.243717D+01  0.739954D+01 -0.101560D+02 -0.757068D+00
      2  -0.151980D+02 -0.114453D+01 -0.789663D+01  0.971351D+01  0.164021D+01
      3   0.789207D-01 -0.129264D+01  0.497093D+00  0.442469D+00 -0.883146D+00
      4  -0.464198D+01  0.248643D+01  0.204901D+01 -0.295129D+00  0.214677D+01
      5   0.118598D+01 -0.177545D+01  0.658544D-01  0.255341D+01  0.862951D+00
      6   0.247131D+00 -0.330125D+01  0.599753D+00  0.124714D+01  0.203097D+01
               196           197           198           199           200 
      1   0.410297D+01 -0.256989D+01 -0.560664D+01  0.222534D+01  0.195534D+01
      2  -0.140441D+01  0.321866D+01  0.237845D+01 -0.168896D+01  0.145420D+01
      3  -0.269856D+01 -0.648770D+00  0.322818D+01 -0.536381D+00 -0.340955D+01
      4   0.138799D+01  0.395817D+01  0.192149D+01  0.596121D+01  0.958091D+01
      5   0.110916D+01  0.298978D+01 -0.313912D+01 -0.100588D+02 -0.357321D+01
      6  -0.226202D+01  0.378323D+01 -0.101639D+01 -0.393011D+01 -0.188237D+01
               201           202           203           204           205 
      1  -0.690712D+01 -0.733749D+00 -0.467726D+00  0.276751D+01 -0.105739D+02
      2   0.521625D+01  0.238398D+01  0.192143D+01 -0.283624D+01  0.760087D+01
      3   0.169088D+01 -0.165023D+01 -0.145370D+01  0.687251D-01  0.297300D+01
      4  -0.554284D+01  0.629176D+01  0.689649D+01 -0.546007D+01 -0.877073D+01
      5   0.136526D+02 -0.785255D+00 -0.576500D+01  0.377848D+01  0.156910D+02
      6   0.516271D+01 -0.164332D+01 -0.350127D+01  0.778158D+01  0.730099D+01
               206           207           208           209           210 
      1   0.593240D+01 -0.715456D+01  0.143096D+02  0.100058D+02  0.585060D+01
      2  -0.553098D+01 -0.812890D+01  0.214015D+01  0.773057D+01 -0.165470D+00
      3  -0.401424D+00  0.152835D+02 -0.164498D+02 -0.177364D+02 -0.568513D+01
      4  -0.139465D+02  0.168629D+02  0.277984D+02  0.348246D+02  0.879785D+01
      5   0.147050D+02 -0.495798D+02  0.834145D+01  0.616658D+01  0.890317D+01
      6   0.126466D+02 -0.284318D+02  0.536600D+01  0.465967D+01  0.606180D+01
               211           212           213           214           215 
      1   0.863332D+01 -0.167736D+01 -0.855306D+00  0.997974D+01 -0.180900D+01
      2   0.893574D+01  0.305463D+02  0.793426D+01 -0.465496D+00  0.122637D+02
      3  -0.175691D+02 -0.288690D+02 -0.707895D+01 -0.951424D+01 -0.104547D+02
      4   0.345534D+02  0.565969D+02  0.157875D+02  0.164495D+02  0.275366D+02
      5   0.692824D+01  0.141565D+02  0.105040D+02  0.116961D+02  0.144405D+02
      6   0.582592D+01  0.124890D+02  0.981796D+01  0.785664D+01  0.125717D+02
               216           217           218           219           220 
      1   0.145074D+01  0.253784D+02  0.129555D+01 -0.194824D+02  0.402901D+01
      2   0.253889D+01 -0.150946D+02 -0.578887D+00  0.113028D+02 -0.181457D+01
      3  -0.398963D+01 -0.102838D+02 -0.716667D+00  0.817963D+01 -0.221444D+01
      4   0.164258D+02  0.211420D+01  0.806193D+01  0.296590D+00  0.150857D+02
      5   0.931944D+01 -0.207264D+02  0.691561D+00  0.234171D+02  0.107426D+00
      6   0.818433D+01 -0.362842D+00  0.260009D+00  0.419469D+00 -0.109926D+01
               221           222           223           224           225 
      1   0.103804D+02  0.603226D+00 -0.481450D+02  0.194646D+01  0.289876D+02
      2  -0.524656D+01 -0.606507D+00  0.287319D+02 -0.156321D+01 -0.239254D+02
      3  -0.513388D+01  0.328098D-02  0.194132D+02 -0.383257D+00 -0.506220D+01
      4  -0.182798D+01 -0.525780D+01  0.278674D+00 -0.105735D+02  0.823602D+00
      5  -0.501138D+01  0.123955D+01  0.433883D+02 -0.138110D+00 -0.704462D+02
      6  -0.548400D+00  0.424599D+01  0.159929D+01  0.401751D+01 -0.200144D+01
               226           227           228           229           230 
      1   0.245619D+02 -0.205027D+02  0.101254D+02 -0.436443D+02  0.303399D+02
      2  -0.116504D+02  0.969447D+01 -0.528749D+01  0.210191D+02 -0.949191D+01
      3  -0.129114D+02  0.108082D+02 -0.483793D+01  0.226252D+02 -0.208480D+02
      4  -0.211704D+02  0.235256D+02 -0.657197D+01  0.417696D+02 -0.650331D+02
      5   0.117167D+02 -0.731378D+01  0.111335D+02 -0.139018D+02  0.234123D+02
      6  -0.236819D+01  0.188294D+01 -0.877171D+00  0.431272D+01 -0.698409D+01
               231           232           233           234           235 
      1  -0.848437D+01  0.201923D+02 -0.725242D+01  0.134739D+02  0.592649D+02
      2   0.486310D+01 -0.113072D+02  0.458154D+01 -0.936371D+01 -0.286333D+02
      3   0.362127D+01 -0.888509D+01  0.267088D+01 -0.411016D+01 -0.306315D+02
      4   0.219991D+02 -0.109109D+02  0.236763D+02 -0.143115D+02  0.335869D+02
      5  -0.183789D+02  0.208873D+02 -0.155233D+02  0.128136D+02  0.247622D+02
      6   0.559302D+01 -0.240671D+01  0.604396D+01 -0.408911D+01  0.511401D+01
               236           237           238           239           240 
      1   0.279499D+02  0.197484D+02  0.583196D+02  0.303169D+02  0.135531D+02
      2  -0.126086D+02 -0.103969D+02 -0.261150D+02 -0.913806D+01 -0.663593D+01
      3  -0.153413D+02 -0.935147D+01 -0.322046D+02 -0.211789D+02 -0.691719D+01
      4   0.273272D+02  0.118530D+02  0.461709D+02  0.415927D+02  0.214188D+02
      5   0.122582D+02  0.197583D+02  0.217049D+02  0.219697D+02  0.200323D+02
      6   0.312483D+01  0.282877D+01  0.682152D+01  0.692552D+01  0.618924D+01
               241           242           243           244           245 
      1   0.373739D+02  0.117764D+02  0.212686D+02  0.570282D+00  0.339268D+01
      2  -0.201033D+02 -0.580740D+01 -0.137602D+02 -0.408334D+01 -0.162179D+01
      3  -0.172707D+02 -0.596897D+01 -0.750843D+01  0.351306D+01 -0.177089D+01
      4   0.188938D+02  0.234076D+02  0.161443D+02  0.629148D+01  0.558013D+01
      5   0.329658D+02  0.166577D+02  0.205054D+02 -0.123328D+02 -0.159370D+01
      6   0.579200D+01  0.639861D+01  0.575684D+01 -0.386296D+01 -0.378463D+00
               246           247           248           249           250 
      1  -0.703683D+01  0.376863D+01  0.346106D+00  0.209013D+01 -0.853758D+01
      2   0.542237D+01 -0.157782D+01 -0.116156D+00 -0.446788D+00  0.897220D+01
      3   0.161446D+01 -0.219081D+01 -0.229951D+00 -0.164335D+01 -0.434623D+00
      4  -0.263389D+01  0.943832D+01  0.476968D+01 -0.746305D+01 -0.481650D+01
      5   0.125915D+02 -0.227929D+01 -0.749005D+01  0.891975D+01  0.175856D+02
      6   0.232249D+01 -0.176683D+01 -0.393886D+01  0.707193D+01  0.340295D+01
               251           252           253           254           255 
      1   0.241170D+01 -0.546298D+01 -0.892512D+02 -0.147810D+02  0.794698D+01
      2   0.530469D+00 -0.131592D+02  0.445047D+02  0.172871D+02 -0.534874D+01
      3  -0.294217D+01  0.186222D+02  0.447465D+02 -0.250612D+01 -0.259824D+01
      4  -0.109340D+02  0.977920D+01 -0.226683D+02  0.251585D+02  0.837498D+01
      5   0.838025D+01 -0.422920D+02  0.100863D+02  0.502559D+01  0.100881D+02
      6   0.618757D+01 -0.122710D+02  0.824901D+01  0.374578D+01  0.405837D+01
               256           257           258           259           260 
      1   0.116137D+02  0.369844D+02  0.267734D+00  0.274596D+02  0.153477D+01
      2   0.216164D+01 -0.370162D+02  0.219691D+00 -0.944439D+01  0.427272D+01
      3  -0.137754D+02  0.318050D-01 -0.487425D+00 -0.180152D+02 -0.580749D+01
      4   0.366383D+02 -0.155563D+02  0.116104D+02  0.224713D+02  0.206969D+02
      5   0.117871D+02  0.145442D+02  0.131657D+02  0.158475D+02  0.113487D+02
      6   0.767995D+01  0.509476D+01  0.716158D+01  0.848725D+01  0.730469D+01
               261           262           263           264           265 
      1   0.133717D+02  0.472084D+01 -0.767390D+01 -0.163489D+01 -0.380002D+01
      2   0.617445D+01  0.368659D+01 -0.336866D+01 -0.297273D+00 -0.944494D+01
      3  -0.195462D+02 -0.840743D+01  0.110426D+02  0.193216D+01  0.132450D+02
      4   0.148418D+02 -0.153732D+02  0.227276D+02  0.481876D+01  0.287665D+02
      5  -0.276795D+02 -0.537531D+01  0.618457D+01  0.404541D+01  0.745060D+01
      6  -0.893029D+01  0.371081D+01 -0.437963D+01 -0.179151D+01 -0.604399D+01
               266           267           268           269           270 
      1  -0.119113D+02 -0.349877D+01  0.591295D+00 -0.121229D+00 -0.180891D+01
      2   0.417766D+02  0.585172D+01  0.285589D+01 -0.793516D+01  0.183170D+01
      3  -0.298654D+02 -0.235295D+01 -0.344719D+01  0.805639D+01 -0.227901D-01
      4  -0.704739D+02 -0.140302D+02 -0.478292D+01  0.113164D+02 -0.387461D+01
      5  -0.164104D+02 -0.121302D+02  0.210944D+01 -0.366589D+01 -0.355816D+01
      6   0.186407D+02  0.922217D+01 -0.123877D+01  0.418644D+01  0.239182D+01
               271           272           273           274           275 
      1   0.132664D+03  0.149475D+02 -0.398762D+01 -0.275907D+01  0.742248D+01
      2  -0.614565D+02 -0.294169D+01  0.158660D+01  0.475497D+01 -0.858787D-01
      3  -0.712072D+02 -0.120058D+02  0.240102D+01 -0.199590D+01 -0.733660D+01
      4   0.519589D+02  0.208812D+02  0.224006D+00  0.139239D+02  0.730670D+01
      5   0.441858D+01  0.158511D+01  0.127700D+02 -0.961703D+00 -0.179958D+01
      6  -0.494624D+00  0.138109D+01  0.402033D+01 -0.701143D-02 -0.262876D+00
               276           277           278           279           280 
      1   0.149521D+00 -0.174897D+02 -0.183189D+01  0.990173D+01  0.259074D+00
      2  -0.314816D+00  0.715283D+01 -0.773750D+00 -0.691048D+01  0.335618D+01
      3   0.165295D+00  0.103369D+02  0.260564D+01 -0.299125D+01 -0.361525D+01
      4  -0.203273D+01 -0.889191D+01 -0.590539D+01  0.290276D+01  0.408485D+01
      5  -0.116670D+01  0.142092D+02  0.836794D+00 -0.400864D+00 -0.231100D+01
      6   0.551406D-01  0.396709D+01  0.895359D+00 -0.184548D+00 -0.945041D+00
               281           282           283           284           285 
      1   0.153517D+02 -0.119549D+01  0.111280D+02 -0.339933D+02 -0.181491D+00
      2  -0.163514D+02  0.901466D+00 -0.514836D+01  0.548810D+02 -0.930836D+00
      3   0.999764D+00  0.294029D+00 -0.597968D+01 -0.208877D+02  0.111233D+01
      4  -0.854578D+01 -0.212074D+01  0.842649D+01  0.516772D+02 -0.493558D+00
      5  -0.229976D+00 -0.273022D+01  0.122980D+01 -0.310417D+01  0.553996D+01
      6  -0.156490D+01 -0.239722D+01 -0.210090D+00  0.412171D+01  0.643106D+01
               286           287           288           289           290 
      1  -0.532580D+01  0.176724D+01 -0.603927D+01  0.669253D+01  0.151615D+01
      2   0.156026D+01 -0.548213D+01  0.482046D+01 -0.617422D+01 -0.224920D+01
      3   0.376554D+01  0.371489D+01  0.121881D+01 -0.518308D+00  0.733042D+00
      4  -0.457820D+01 -0.967695D+01  0.363800D+01  0.308742D+00 -0.282261D+01
      5   0.576531D-01  0.490880D+01  0.448981D+00  0.399012D+01 -0.113112D+01
      6  -0.607291D+00  0.686982D+01 -0.398344D+00  0.419406D+00 -0.143377D+01
               291           292           293           294           295 
      1   0.609935D+01 -0.548038D+01 -0.620068D+01 -0.845536D+00  0.107573D+02
      2  -0.254772D+01  0.208112D+01  0.346100D+01  0.329669D+01 -0.665890D+01
      3  -0.355163D+01  0.339926D+01  0.273968D+01 -0.245115D+01 -0.409837D+01
      4   0.374996D+00 -0.350392D+01 -0.219888D+01  0.254151D+01  0.628128D+01
      5   0.848507D+00 -0.256150D+01  0.231684D+01 -0.547933D+01  0.102546D+02
      6  -0.111285D+01 -0.814489D+00  0.349770D+00  0.159198D+01  0.231707D+01
               296           297 
      1  -0.117294D+01 -0.120337D+02
      2   0.342841D+01 -0.133437D+02
      3  -0.225546D+01  0.253774D+02
      4   0.996582D+01  0.923402D+00
      5   0.201037D+01  0.451771D+02
      6   0.482432D+01  0.180034D+02
 Leave Link  716 at Mon Sep 27 11:19:25 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.224030D+03 -0.217040D+01  0.198194D+01
      2  -0.217040D+01  0.138302D+03 -0.751934D+01
      3   0.198194D+01 -0.751934D+01  0.148922D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.837429D+01 -0.761750D+01  0.229248D+02
      2  -0.748879D-01 -0.715692D+01  0.339973D+02
      3  -0.106686D+03 -0.384072D+02  0.127236D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.246995D+03  0.383504D+02 -0.230629D+02
      2  -0.133642D+03 -0.193055D+02  0.420376D+02
      3  -0.113353D+03 -0.190449D+02 -0.189747D+02
      4  -0.385618D+02  0.686418D+02 -0.159493D+02
      5  -0.246335D+02 -0.218130D+02  0.707365D+02
      6  -0.803247D+00  0.239149D+02 -0.341970D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.141602D+02 -0.112404D-01  0.739995D+00  0.648668D+01  0.223078D+01
      2  -0.112404D-01  0.995448D+00  0.248042D-02  0.223078D+01  0.195879D+01
      3   0.739995D+00  0.248042D-02  0.110261D+01 -0.953518D-01 -0.270960D+01
                 6             7             8             9            10 
      1  -0.953518D-01 -0.111892D+02  0.369408D+00 -0.453030D+00  0.344002D+02
      2  -0.270960D+01  0.369408D+00 -0.120482D+01 -0.109613D+01  0.148193D+01
      3  -0.234119D+01 -0.453030D+00 -0.109613D+01 -0.172710D+01 -0.113024D+01
                11            12            13            14            15 
      1   0.148193D+01 -0.113024D+01 -0.607646D+00  0.453345D+01  0.120098D+01
      2   0.188927D+01 -0.751049D+00  0.453345D+01 -0.883265D+00 -0.196174D+00
      3  -0.751049D+00  0.278479D+01  0.120098D+01 -0.196174D+00 -0.754079D+00
                16            17            18            19            20 
      1  -0.454348D+01  0.159522D+01  0.138821D+01  0.108242D+02 -0.179046D+00
      2   0.159522D+01  0.250640D+00 -0.783562D+00 -0.179046D+00 -0.959083D+00
      3   0.138821D+01 -0.783562D+00 -0.436409D+00 -0.652343D+00 -0.295666D+00
                21            22            23            24            25 
      1  -0.652343D+00  0.482241D+01 -0.152311D+01 -0.107725D+01 -0.151548D+02
      2  -0.295666D+00 -0.152311D+01  0.252850D+01 -0.222376D+01  0.952983D-02
      3  -0.280624D+01 -0.107725D+01 -0.222376D+01 -0.112021D+01  0.597071D+00
                26            27            28            29            30 
      1   0.952983D-02  0.597071D+00 -0.323118D+02 -0.214593D+00  0.109313D+01
      2  -0.820350D+00 -0.797489D+00 -0.214593D+00 -0.151837D+01  0.197215D+00
      3  -0.797489D+00 -0.153609D+01  0.109313D+01  0.197215D+00 -0.257447D+01
                31            32            33            34            35 
      1   0.232303D+01 -0.514732D+01 -0.140699D+01  0.284039D+01 -0.129851D+01
      2  -0.514732D+01  0.567111D+00  0.343644D+00 -0.129851D+01 -0.152812D+00
      3  -0.140699D+01  0.343644D+00 -0.657823D-01 -0.915278D+00 -0.753797D+00
                36            37            38            39            40 
      1  -0.915278D+00  0.156591D+02 -0.555609D+00 -0.896442D+00 -0.370597D+01
      2  -0.753797D+00 -0.555609D+00 -0.179737D+01  0.124947D+01 -0.200044D+01
      3   0.924661D+00 -0.896442D+00  0.124947D+01 -0.172343D+01 -0.209604D+00
                41            42            43            44            45 
      1  -0.200044D+01 -0.209604D+00  0.127315D+02 -0.206383D+01  0.575580D+00
      2  -0.254611D+01  0.253489D+01 -0.206383D+01  0.128872D+01  0.134352D+01
      3   0.253489D+01  0.212339D+01  0.575580D+00  0.134352D+01  0.136743D+01
                46            47            48            49            50 
      1  -0.116163D+02  0.630103D+00  0.491655D+00 -0.325180D+01  0.111365D+01
      2   0.630103D+00  0.132659D+01 -0.665129D+00  0.111365D+01 -0.345120D+01
      3   0.491655D+00 -0.665129D+00  0.299033D+01  0.157936D+01  0.208467D+01
                51            52            53            54            55 
      1   0.157936D+01  0.146401D+02  0.130509D+01 -0.117156D+01 -0.187994D+02
      2   0.208467D+01  0.130509D+01 -0.770346D-01  0.144047D+01 -0.212005D+01
      3   0.105635D+01 -0.117156D+01  0.144047D+01  0.713973D+00 -0.264990D+00
                56            57            58            59            60 
      1  -0.212005D+01 -0.264990D+00 -0.662197D+01 -0.759240D+01 -0.556931D+00
      2  -0.356052D+01 -0.115722D+00 -0.759240D+01  0.271068D+01 -0.164508D+01
      3  -0.115722D+00 -0.138535D+01 -0.556931D+00 -0.164508D+01  0.552063D-01
                61            62            63            64            65 
      1  -0.677871D+01 -0.128667D+01 -0.306280D+01  0.370268D+00  0.311826D+01
      2  -0.128667D+01 -0.306884D+01  0.608288D+00  0.311826D+01  0.383351D+01
      3  -0.306280D+01  0.608288D+00  0.536896D+01 -0.323372D-01  0.381142D+00
                66            67            68            69            70 
      1  -0.323372D-01  0.127592D+02  0.675667D+01  0.783342D+00  0.691355D+01
      2   0.381142D+00  0.675667D+01 -0.162792D+01  0.206587D+01  0.141496D+01
      3   0.242524D+01  0.783342D+00  0.206587D+01  0.595301D+00  0.369938D+01
                71            72            73            74            75 
      1   0.141496D+01  0.369938D+01  0.588323D+01 -0.264356D+01 -0.117322D+01
      2   0.299990D+01  0.638853D+00 -0.264356D+01 -0.353760D+01 -0.699805D+00
      3   0.638853D+00 -0.734479D+01 -0.117322D+01 -0.699805D+00 -0.182945D+01
                76            77            78            79            80 
      1  -0.407283D+01 -0.401899D+01 -0.922554D+00 -0.247990D+01 -0.102431D+01
      2  -0.401899D+01 -0.323258D+00 -0.280768D+01 -0.102431D+01 -0.397643D+01
      3  -0.922554D+00 -0.280768D+01 -0.115849D+01 -0.262695D+01 -0.199635D+01
                81            82            83            84            85 
      1  -0.262695D+01  0.514382D+01 -0.183573D+01 -0.622569D+00 -0.425513D+01
      2  -0.199635D+01 -0.183573D+01 -0.355389D+01 -0.536741D+00 -0.579209D+01
      3   0.529690D+01 -0.622569D+00 -0.536741D+00 -0.287195D+01 -0.909652D+00
                86            87            88            89            90 
      1  -0.579209D+01 -0.909652D+00 -0.231690D+01 -0.992498D+00 -0.454666D+01
      2   0.228020D+01 -0.373900D+01 -0.992498D+00 -0.387978D+01 -0.327523D+00
      3  -0.373900D+01 -0.478740D+00 -0.454666D+01 -0.327523D+00  0.449048D+01
                91            92            93            94            95 
      1   0.644702D+01  0.242264D+01  0.208183D+00 -0.181083D+01  0.677055D+01
      2   0.242264D+01  0.214228D+01  0.108544D+01  0.677055D+01 -0.384613D+01
      3   0.208183D+00  0.108544D+01  0.139751D+01  0.195063D+01 -0.111501D+00
                96            97            98            99           100 
      1   0.195063D+01  0.366108D+01  0.198518D+01  0.191621D+01  0.379931D+01
      2  -0.111501D+00  0.198518D+01  0.201167D+01  0.201425D+01 -0.224972D+01
      3   0.146040D+01  0.191621D+01  0.201425D+01 -0.441908D+01  0.177867D+01
               101           102           103           104           105 
      1  -0.224972D+01  0.177867D+01 -0.281749D+01 -0.925813D+00 -0.138899D+01
      2   0.398155D+00 -0.933874D+00 -0.925813D+00  0.395316D+01  0.121270D+00
      3  -0.933874D+00  0.479014D+00 -0.138899D+01  0.121270D+00 -0.206967D+01
               106           107           108           109           110 
      1   0.400751D+01 -0.318807D+01  0.145434D+01 -0.613446D+01  0.235337D+01
      2  -0.318807D+01  0.242636D+01 -0.260086D+01  0.235337D+01 -0.160463D+01
      3   0.145434D+01 -0.260086D+01  0.287778D+01 -0.357734D+01  0.699719D+00
               111           112           113           114           115 
      1  -0.357734D+01  0.409289D+01 -0.260408D+01  0.127549D+01 -0.101689D+02
      2   0.699719D+00 -0.260408D+01  0.252082D+01 -0.220622D+01  0.375324D+01
      3  -0.191107D+01  0.127549D+01 -0.220622D+01  0.215286D+01 -0.335468D+01
               116           117           118           119           120 
      1   0.375324D+01 -0.335468D+01  0.867630D+00 -0.366404D-01  0.119180D+01
      2  -0.475565D+01  0.211638D+01 -0.366404D-01  0.233227D+01  0.497182D+00
      3   0.211638D+01 -0.751755D+01  0.119180D+01  0.497182D+00  0.262425D+00
               121           122           123           124           125 
      1   0.100497D+01  0.228068D+01  0.209217D+00  0.460419D+01 -0.147742D+01
      2   0.228068D+01 -0.664960D+01  0.593921D+00 -0.147742D+01  0.275261D+01
      3   0.209217D+00  0.593921D+00  0.362299D+00 -0.115364D+01  0.266950D+01
               126           127           128           129           130 
      1  -0.115364D+01  0.196293D+01  0.625522D+00 -0.201445D+01  0.209255D+00
      2   0.266950D+01  0.625522D+00  0.270608D+00 -0.423209D+00  0.182995D+00
      3   0.465367D+01 -0.201445D+01 -0.423209D+00  0.212230D+01 -0.715325D+00
               131           132           133           134           135 
      1   0.182995D+00 -0.715325D+00 -0.231773D+01 -0.885651D+00  0.268991D+01
      2   0.440803D+00 -0.684393D+00 -0.885651D+00 -0.119198D+01  0.170147D+01
      3  -0.684393D+00  0.229163D+01  0.268991D+01  0.170147D+01 -0.726962D+01
               136           137           138           139           140 
      1  -0.358933D+01  0.100506D+01 -0.191148D+01  0.157316D+01 -0.580982D+00
      2   0.100506D+01 -0.703348D+00  0.607327D+00 -0.580982D+00  0.587131D+00
      3  -0.191148D+01  0.607327D+00 -0.179601D+01  0.112013D+01 -0.617417D+00
               141           142           143           144           145 
      1   0.112013D+01 -0.233032D+01  0.886527D+00 -0.252399D+01 -0.207409D+01
      2  -0.617417D+00  0.886527D+00 -0.120170D+01  0.142649D+01 -0.687096D+00
      3   0.172913D+01 -0.252399D+01  0.142649D+01 -0.456904D+01  0.210371D+01
               146           147           148           149           150 
      1  -0.687096D+00  0.210371D+01 -0.495763D+00 -0.198052D+00  0.734397D+00
      2  -0.352619D+00  0.672161D+00 -0.198052D+00 -0.648386D+00  0.902864D+00
      3   0.672161D+00 -0.226478D+01  0.734397D+00  0.902864D+00 -0.239485D+01
               151           152           153           154           155 
      1   0.204399D+01  0.105961D+01 -0.275276D+01  0.370569D+01 -0.115372D+01
      2   0.105961D+01  0.160515D+01 -0.246360D+01 -0.115372D+01  0.925502D+00
      3  -0.275276D+01 -0.246360D+01  0.760095D+01  0.256308D+01 -0.114944D+01
               156           157           158           159           160 
      1   0.256308D+01 -0.207826D+01  0.828168D+00 -0.140274D+01  0.269518D+01
      2  -0.114944D+01  0.828168D+00 -0.921047D+00  0.957102D+00 -0.128415D+01
      3   0.236025D+01 -0.140274D+01  0.957102D+00 -0.204688D+01  0.301182D+01
               161           162           163           164           165 
      1  -0.128415D+01  0.301182D+01  0.118890D+01 -0.789904D-02 -0.149656D+01
      2   0.165101D+01 -0.219135D+01 -0.789904D-02  0.735461D+00  0.294162D+00
      3  -0.219135D+01  0.517126D+01 -0.149656D+01  0.294162D+00  0.136366D+01
               166           167           168           169           170 
      1   0.186834D+01  0.119797D+01 -0.494001D-01 -0.371596D+01  0.111819D+00
      2   0.119797D+01 -0.401811D+00 -0.728585D+00  0.111819D+00 -0.113864D+01
      3  -0.494001D-01 -0.728585D+00  0.749790D-01  0.244295D+01 -0.119687D+01
               171           172           173           174           175 
      1   0.244295D+01  0.465929D+01 -0.190362D+01  0.634365D+00 -0.445358D+01
      2  -0.119687D+01 -0.190362D+01  0.235835D+01 -0.575478D-01  0.363161D+01
      3  -0.629392D+01  0.634365D+00 -0.575478D-01  0.368895D+00 -0.181712D+00
               176           177           178           179           180 
      1   0.363161D+01 -0.181712D+00  0.539053D+01 -0.439520D+00  0.105091D+01
      2  -0.679380D+01  0.818961D+00 -0.439520D+00  0.204574D+01 -0.108725D+01
      3   0.818961D+00 -0.753930D+00  0.105091D+01 -0.108725D+01  0.280159D+00
               181           182           183           184           185 
      1  -0.836398D+00 -0.814181D+00  0.127150D+01 -0.176605D+01 -0.892349D+00
      2  -0.814181D+00 -0.863710D+00 -0.790065D-01 -0.892349D+00  0.187915D+00
      3   0.127150D+01 -0.790065D-01 -0.995503D+00  0.109196D+00  0.715836D+00
               186           187           188           189           190 
      1   0.109196D+00  0.220843D+01  0.133136D+00 -0.626159D+00 -0.877758D+01
      2   0.715836D+00  0.133136D+00  0.109556D+01 -0.391869D-01  0.642465D+00
      3  -0.644019D-01 -0.626159D+00 -0.391869D-01  0.741417D+01  0.468550D+00
               191           192           193           194           195 
      1   0.642465D+00  0.468550D+00  0.248280D+00 -0.133641D+01  0.600737D-01
      2  -0.236667D+01  0.836512D-01 -0.133641D+01  0.776151D+00  0.354894D+00
      3   0.836512D-01 -0.634615D+00  0.600737D-01  0.354894D+00  0.381104D+00
               196           197           198           199           200 
      1   0.526391D+00 -0.126485D+00 -0.344204D+00  0.390647D+00  0.654612D+00
      2  -0.126485D+00  0.605596D+00  0.585499D+00  0.654612D+00  0.931833D+00
      3  -0.344204D+00  0.585499D+00 -0.301450D+00 -0.101764D+01 -0.305511D+00
               201           202           203           204           205 
      1  -0.101764D+01  0.323481D+00  0.595828D+00 -0.104893D+00 -0.172654D+01
      2  -0.305511D+00  0.595828D+00  0.826045D+00 -0.753915D+00 -0.541394D+00
      3   0.131405D+01 -0.104893D+00 -0.753915D+00  0.607904D+00  0.148688D+01
               206           207           208           209           210 
      1  -0.541394D+00  0.148688D+01  0.253002D+01  0.274423D+01  0.954815D+00
      2  -0.196726D+01  0.195671D+01  0.274423D+01  0.345752D+01  0.729656D+00
      3   0.195671D+01 -0.667544D+01  0.954815D+00  0.729656D+00  0.950737D+00
               211           212           213           214           215 
      1   0.230553D+01  0.340882D+01  0.898385D+00  0.194094D+01  0.155167D+01
      2   0.340882D+01  0.680449D+01  0.195878D+01  0.155167D+01  0.346252D+01
      3   0.898385D+00  0.195878D+01  0.134309D+01  0.130702D+01  0.189345D+01
               216           217           218           219           220 
      1   0.130702D+01  0.198910D+01  0.126309D+00 -0.160243D+01  0.439739D+00
      2   0.189345D+01  0.126309D+00  0.584565D+00  0.554985D-01  0.120582D+01
      3   0.114239D+01 -0.160243D+01  0.554985D-01  0.166098D+01  0.668083D-04
               221           222           223           224           225 
      1   0.120582D+01  0.668083D-04 -0.443018D+01  0.125396D+00  0.340427D+01
      2  -0.171969D+00 -0.478940D+00  0.125396D+00 -0.915500D+00 -0.330761D-01
      3  -0.478940D+00  0.121022D+00  0.340427D+01 -0.330761D-01 -0.608937D+01
               226           227           228           229           230 
      1   0.184867D+01 -0.177463D+01  0.873286D+00 -0.403478D+01  0.345256D+01
      2  -0.177463D+01  0.177181D+01 -0.511529D+00  0.345256D+01 -0.591275D+01
      3   0.873286D+00 -0.511529D+00  0.823673D+00 -0.103931D+01  0.196882D+01
               231           232           233           234           235 
      1  -0.103931D+01  0.192109D+01 -0.918026D+00  0.164978D+01  0.486946D+01
      2   0.196882D+01 -0.918026D+00  0.216335D+01 -0.133500D+01  0.254857D+01
      3  -0.149917D+01  0.164978D+01 -0.133500D+01  0.109162D+01  0.179927D+01
               236           237           238           239           240 
      1   0.254857D+01  0.179927D+01  0.591167D+01  0.367716D+01  0.164022D+01
      2   0.196592D+01  0.911313D+00  0.367716D+01  0.346780D+01  0.182470D+01
      3   0.911313D+00  0.137375D+01  0.164022D+01  0.182470D+01  0.158325D+01
               241           242           243           244           245 
      1   0.383235D+01  0.151546D+01  0.254702D+01  0.384557D+00 -0.877664D+00
      2   0.151546D+01  0.200829D+01  0.137270D+01 -0.877664D+00 -0.491880D+00
      3   0.254702D+01  0.137270D+01  0.163604D+01  0.140445D+01  0.923901D-01
               246           247           248           249           250 
      1   0.140445D+01 -0.122068D+01 -0.102618D+01  0.196704D+00  0.259283D+01
      2   0.923901D-01 -0.102618D+01 -0.624209D+00  0.111752D+01  0.288537D+00
      3  -0.116246D+01  0.196704D+00  0.111752D+01 -0.124650D+01 -0.196173D+01
               251           252           253           254           255 
      1   0.288537D+00 -0.196173D+01  0.889400D+01  0.235284D-01 -0.163108D+01
      2   0.150778D+01 -0.114731D+01  0.235284D-01 -0.369271D+01 -0.768386D+00
      3  -0.114731D+01  0.612394D+01 -0.163108D+01 -0.768386D+00 -0.108299D+01
               256           257           258           259           260 
      1  -0.510249D+01 -0.405276D+01 -0.131551D+01 -0.667813D+01 -0.176133D+01
      2  -0.405276D+01  0.388522D+01 -0.137163D+01 -0.176133D+01 -0.266962D+01
      3  -0.131551D+01 -0.137163D+01 -0.180455D+01 -0.157135D+01 -0.138564D+01
               261           262           263           264           265 
      1  -0.157135D+01 -0.111722D+01  0.166134D+01  0.570426D+00  0.170620D+01
      2  -0.138564D+01  0.166134D+01 -0.229256D+01 -0.559002D+00 -0.332238D+01
      3   0.384156D+01  0.570426D+00 -0.559002D+00 -0.470414D+00 -0.686297D+00
               266           267           268           269           270 
      1  -0.332238D+01 -0.686297D+00 -0.304215D+00  0.624314D+00 -0.244136D+00
      2   0.102780D+02  0.206928D+01  0.624314D+00 -0.153595D+01  0.605561D+00
      3   0.206928D+01  0.176815D+01 -0.244136D+00  0.605561D+00  0.567668D+00
               271           272           273           274           275 
      1  -0.159103D+02 -0.236783D+01  0.143888D+00  0.429881D+00 -0.114728D+01
      2  -0.236783D+01 -0.148996D+01 -0.155522D+00 -0.114728D+01 -0.613392D+00
      3   0.143888D+00 -0.155522D+00 -0.103200D+01  0.125227D+00  0.216992D+00
               276           277           278           279           280 
      1   0.125227D+00  0.243282D+01  0.557060D+00 -0.122604D+01  0.103477D-01
      2   0.216992D+00  0.557060D+00  0.667489D+00 -0.501434D-01 -0.852455D+00
      3   0.231701D+00 -0.122604D+01 -0.501434D-01  0.153524D-01  0.307688D+00
               281           282           283           284           285 
      1  -0.852455D+00  0.307688D+00 -0.141352D+01 -0.692708D-01 -0.165219D-01
      2   0.235746D+01  0.252590D+00 -0.692708D-01 -0.846922D+01  0.510619D-01
      3   0.252590D+00  0.431210D+00 -0.165219D-01  0.510619D-01 -0.847534D+00
               286           287           288           289           290 
      1   0.105473D+01  0.342931D+00  0.744959D-01 -0.501382D+00  0.247338D+00
      2   0.342931D+00  0.137770D+01 -0.781076D+00  0.247338D+00  0.508355D+00
      3   0.744959D-01 -0.781076D+00 -0.972770D-01 -0.575349D+00  0.195735D+00
               291           292           293           294           295 
      1  -0.575349D+00  0.120412D+01  0.363199D+00  0.195609D+00 -0.190261D+01
      2   0.195735D+00  0.363199D+00  0.111252D+00 -0.427187D+00 -0.341233D+00
      3   0.329327D+00  0.195609D+00 -0.427187D+00  0.708215D+00 -0.760890D+00
               296           297 
      1  -0.341233D+00 -0.760890D+00
      2  -0.136374D+01 -0.306913D+00
      3  -0.306913D+00 -0.630182D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.155372D+01 -0.240661D+01  0.125612D+01 -0.708952D+01 -0.215376D+01
      2   0.323696D+01 -0.221394D+01  0.950766D+01 -0.279706D+01  0.183572D+01
      3   0.197549D+02 -0.196081D+01  0.303338D+01  0.786768D+01 -0.212284D+01
                 6             7             8             9            10 
      1  -0.216603D+01 -0.143636D+01  0.153701D+01 -0.207726D+00 -0.141889D+01
      2  -0.326297D+01 -0.391750D+01 -0.111544D+01  0.268841D+01  0.517719D+00
      3   0.220765D+01  0.157983D+02  0.251000D-01  0.281656D+01 -0.342735D+02
                11            12            13            14            15 
      1   0.275502D+00  0.166558D+01  0.208019D+01  0.399019D+01 -0.882136D+01
      2   0.797518D+00 -0.440534D+01  0.575891D+01  0.659290D-01  0.613760D+00
      3  -0.715339D+00  0.492734D+00  0.115280D+02 -0.109097D+01 -0.146307D+00
                16            17            18            19            20 
      1  -0.341756D+01 -0.128667D+01 -0.472240D+01 -0.336701D+00  0.155683D+01
      2  -0.275767D+02 -0.197443D+01 -0.248222D+01 -0.461692D+01 -0.204946D+01
      3  -0.142156D+01 -0.180505D+01 -0.150143D+01 -0.133102D+02 -0.130151D+01
                21            22            23            24            25 
      1  -0.123094D+01  0.591544D+01 -0.193354D+01 -0.351572D+01  0.530280D+01
      2   0.317574D+01 -0.442766D+01 -0.224173D+01  0.925302D+00 -0.453551D+00
      3   0.247236D+01  0.765750D+01  0.175260D+01 -0.283624D+01  0.199569D+02
                26            27            28            29            30 
      1   0.109583D+01 -0.163315D+01  0.207840D+01  0.635077D+00 -0.279378D+01
      2   0.683208D+00 -0.157964D+01  0.733853D+00  0.251605D+01 -0.408952D+01
      3  -0.135454D+01 -0.446157D+01  0.315105D+02  0.415066D+00 -0.306621D+01
                31            32            33            34            35 
      1  -0.189003D+01  0.440622D+01 -0.901319D+01 -0.537994D+01 -0.406982D+00
      2   0.619903D+01 -0.268868D-01  0.249799D+01 -0.290081D+02  0.352555D+01
      3   0.888007D+01  0.522017D+01  0.832173D+00 -0.740073D+01 -0.206821D+01
                36            37            38            39            40 
      1  -0.323188D+01 -0.268730D+01 -0.413986D+00 -0.981339D+00 -0.620361D+01
      2  -0.169877D+01  0.202003D+01 -0.275936D+01  0.857438D+01 -0.425562D+01
      3   0.196998D+01 -0.160949D+02 -0.548612D+00  0.309226D+01  0.136890D+02
                41            42            43            44            45 
      1   0.161660D+01  0.110912D+01 -0.227675D+01  0.337680D+01  0.224981D+01
      2   0.176062D+01 -0.216590D+01 -0.620993D+01 -0.993640D+00  0.264039D+01
      3  -0.550058D-02  0.259501D+01 -0.122342D+02  0.437113D+01  0.162543D+01
                46            47            48            49            50 
      1   0.135177D+01  0.974612D+00  0.246443D+01  0.911636D+01  0.142785D+01
      2  -0.336650D+01 -0.213141D+01  0.394863D+01 -0.440728D+01 -0.172841D+01
      3   0.149703D+02 -0.244038D+01 -0.578225D+00  0.141492D+02  0.904350D+00
                51            52            53            54            55 
      1  -0.249502D+01  0.280356D+01  0.328487D+01  0.475610D+00 -0.149146D+01
      2   0.118503D+01 -0.730440D+00  0.147064D+01 -0.226942D+01 -0.454751D+01
      3  -0.468727D+01 -0.118916D+02 -0.128140D+01 -0.133448D+01  0.196075D+02
                56            57            58            59            60 
      1  -0.174355D+00 -0.567870D+00 -0.304511D+00 -0.542688D+01 -0.863842D+00
      2   0.207967D+00 -0.144790D+00 -0.222708D+01 -0.105864D+02  0.172479D+01
      3   0.995036D+01  0.576388D+00  0.381160D+02 -0.873834D+00  0.589443D+01
                61            62            63            64            65 
      1   0.101452D+00  0.405432D+01  0.452294D+01  0.224843D+01  0.107804D+01
      2  -0.216689D+02  0.432085D+00  0.209154D+02  0.435382D+01  0.159158D+01
      3   0.112659D+02  0.111115D+02  0.181460D+01 -0.214897D+02 -0.199941D+02
                66            67            68            69            70 
      1  -0.164189D+01 -0.547956D+00 -0.151423D+01 -0.224196D+01  0.300987D+00
      2   0.126588D+02  0.532971D+01  0.103234D+02  0.520697D+00  0.125893D+02
      3  -0.180829D+01 -0.283523D+02  0.554876D+01 -0.849662D+01 -0.122446D+02
                71            72            73            74            75 
      1   0.440925D+01  0.446019D+01  0.215014D+01  0.217744D+01  0.459283D+01
      2   0.363094D+01 -0.340352D+02 -0.118851D+01 -0.420197D+01 -0.459174D+01
      3  -0.127609D+02 -0.289598D+01  0.269599D+02  0.342035D+01  0.779347D+00
                76            77            78            79            80 
      1   0.330537D+01  0.906968D+01  0.175214D+01  0.681301D+01  0.852680D+01
      2  -0.534676D+01 -0.104908D+02 -0.419023D+01 -0.117212D+02 -0.696881D+01
      3   0.102046D+02 -0.643042D+01  0.811679D+01  0.150640D+01  0.116519D+02
                81            82            83            84            85 
      1  -0.115318D+02 -0.355482D+00 -0.312518D+00  0.272093D+00 -0.189762D-01
      2   0.182065D+02 -0.634951D+01 -0.241602D+01 -0.147904D+02 -0.419417D+01
      3   0.340437D+01  0.937779D+01  0.187529D+02  0.300490D+01  0.386243D+02
                86            87            88            89            90 
      1   0.113351D+01 -0.225097D+01  0.662964D+00  0.103685D+01 -0.111929D+01
      2  -0.209622D+02 -0.116888D+01 -0.305053D+02 -0.159917D+01  0.263457D+02
      3  -0.140554D+02  0.216944D+02  0.526592D+01  0.220218D+02  0.208369D+01
                91            92            93            94            95 
      1   0.323973D+00  0.498475D+00  0.223215D+01  0.251650D+01 -0.168547D+01
      2  -0.451659D+01 -0.400714D+01 -0.107094D+00 -0.422791D+01 -0.271262D+01
      3  -0.436904D+01  0.117698D+01  0.365863D+01  0.378120D+02 -0.183005D+02
                96            97            98            99           100 
      1  -0.315837D+01  0.323267D+01  0.536753D+01 -0.163880D+01 -0.658824D+00
      2  -0.678943D+01 -0.166498D+02 -0.691201D+01  0.161722D+02  0.212173D+01
      3  -0.149180D+01  0.308756D+01  0.479561D+01  0.544788D+01  0.134777D+02
               101           102           103           104           105 
      1  -0.568337D+01 -0.564375D+01  0.369230D+00 -0.342982D+00  0.243002D+01
      2   0.355088D+01  0.447659D+01  0.215257D+01  0.167953D+01  0.142318D+02
      3  -0.130394D+02 -0.553544D+01 -0.604500D+01  0.471318D+01  0.267451D+01
               106           107           108           109           110 
      1  -0.758300D+01 -0.482420D+00 -0.395784D+01  0.420241D+01  0.297633D+01
      2  -0.498556D+01  0.108188D+02 -0.173458D+02  0.900145D+01 -0.252886D+01
      3  -0.148705D+02  0.159345D+02 -0.699066D+01 -0.340289D+00 -0.533764D+01
               111           112           113           114           115 
      1   0.415721D+01 -0.533807D+00 -0.386065D-01 -0.677228D+01  0.450090D+01
      2   0.916828D+01 -0.486729D+00  0.736155D+01 -0.108798D+02  0.487748D+01
      3   0.776304D+00 -0.633265D+01  0.119659D+02 -0.782984D+01  0.165113D+02
               116           117           118           119           120 
      1   0.537197D+01  0.114267D+02 -0.380529D+01  0.274212D+01  0.267927D+00
      2  -0.665799D+01  0.308150D+02 -0.536716D+01 -0.120200D+01  0.145714D+00
      3  -0.210908D+02  0.621557D+01 -0.220933D+01  0.747200D+01  0.436580D+01
               121           122           123           124           125 
      1   0.616576D+00 -0.530489D+01 -0.278243D+01 -0.231219D+01  0.763566D+01
      2  -0.294460D+01 -0.392166D+01 -0.219558D+01 -0.942230D+00 -0.798200D+01
      3   0.774016D+01 -0.180102D+02  0.230570D+01 -0.338179D+01  0.863162D+01
               126           127           128           129           130 
      1  -0.668697D+01 -0.180458D+01 -0.197611D+01  0.955630D+00 -0.192823D+00
      2  -0.152324D+02  0.442517D+01  0.932105D+00 -0.109251D+01  0.426517D+00
      3   0.869903D+01 -0.165454D+00 -0.950925D+00  0.814664D+00  0.813549D+00
               131           132           133           134           135 
      1  -0.141317D+01 -0.368319D-01  0.275136D+01  0.521010D+01 -0.471522D+01
      2  -0.910659D-01  0.565338D+00 -0.470622D+01 -0.357179D+00 -0.171253D+01
      3  -0.487627D+00  0.397912D+00  0.859272D+00  0.214506D+01 -0.158594D+01
               136           137           138           139           140 
      1  -0.234049D+01  0.296738D+01 -0.734672D+00  0.949930D+00 -0.114216D+01
      2  -0.788642D+01  0.168882D+01 -0.106570D+01  0.179611D+01 -0.465267D+00
      3   0.345429D+00 -0.147694D+01  0.711370D+00  0.232573D+00  0.132394D+01
               141           142           143           144           145 
      1  -0.548600D+00 -0.197625D+01  0.397467D+01 -0.260308D+01  0.167529D+01
      2   0.590482D-01 -0.408042D+01  0.555455D+00  0.974907D+00  0.426825D+01
      3  -0.367293D+00  0.536042D+00 -0.246867D+01  0.165191D+01  0.259806D+01
               146           147           148           149           150 
      1  -0.949118D+00 -0.221649D+01  0.104637D+01 -0.777304D-01 -0.344560D+01
      2   0.459459D+00 -0.103567D+01  0.627868D+00 -0.254317D+00  0.486471D+00
      3   0.208205D-01 -0.200337D+01  0.151289D+01 -0.374512D+00 -0.449396D+00
               151           152           153           154           155 
      1  -0.166061D+01  0.224751D+01  0.549276D+01  0.243245D+01  0.131843D+01
      2  -0.429779D+01 -0.342163D+00 -0.117384D+01 -0.552468D+01  0.296282D+00
      3  -0.224985D+01  0.838335D+00  0.180659D+01 -0.504989D+01 -0.803590D+00
               156           157           158           159           160 
      1   0.219105D+01 -0.141838D+01  0.142953D+00 -0.361442D+01  0.235250D+01
      2  -0.387403D+00  0.126130D+01  0.126122D+00 -0.823384D+00 -0.285386D+01
      3  -0.227721D+01  0.420237D+01  0.557361D+00  0.846814D+00 -0.297651D+01
               161           162           163           164           165 
      1   0.145879D+01  0.405482D+01 -0.132383D+01 -0.613558D+00  0.111576D+01
      2  -0.131836D+00  0.197640D+01 -0.519316D+01  0.700986D+00  0.538669D+01
      3  -0.123762D+01 -0.192412D+01 -0.184341D+01 -0.348152D+01  0.605038D+00
               166           167           168           169           170 
      1   0.109740D+00 -0.349429D+00 -0.856604D+00  0.217351D+01  0.221155D+01
      2   0.668829D+00 -0.125854D+01  0.586544D+00  0.238906D+01 -0.394497D+01
      3  -0.347792D+01  0.291031D+00  0.185624D+01  0.305811D+01  0.405414D+01
               171           172           173           174           175 
      1  -0.630487D+01  0.923637D+00 -0.105804D+01  0.134888D+01 -0.153584D+01
      2  -0.206535D+02  0.505931D+01 -0.145584D+01  0.305282D+01 -0.269897D+01
      3   0.306007D+00  0.967163D+00 -0.719568D+01 -0.298454D+00 -0.441335D+01
               176           177           178           179           180 
      1   0.351701D+01 -0.330672D+01  0.149071D+01 -0.124179D+01  0.110581D+01
      2   0.567997D+01 -0.356781D+01  0.362375D+01 -0.411905D+01  0.701098D+00
      3   0.183306D+02 -0.190773D+01 -0.387676D+01 -0.654155D+01  0.193516D+01
               181           182           183           184           185 
      1  -0.261143D+01 -0.154225D+01  0.795591D+00 -0.110448D+01 -0.344548D+00
      2   0.805239D+01  0.712373D+00 -0.458459D+01  0.220084D+01  0.370599D+01
      3   0.277990D+01  0.267710D+01  0.409899D+00  0.543379D+01 -0.658655D+00
               186           187           188           189           190 
      1  -0.509706D+00  0.152665D+01  0.340457D+01 -0.401995D+01  0.426334D+00
      2  -0.843992D+00 -0.843750D+01 -0.107079D+01  0.305296D+02 -0.147098D+01
      3  -0.280115D+01  0.112125D+00 -0.383353D+01 -0.180926D+00 -0.265757D+02
               191           192           193           194           195 
      1   0.646594D+00  0.220739D+01  0.896071D-01 -0.911504D+00 -0.109643D+01
      2   0.451668D+00 -0.310281D+00  0.349690D+00  0.851417D+00  0.263164D+00
      3   0.659301D+01  0.707682D+00  0.668210D+01 -0.402491D+01 -0.122675D+01
               196           197           198           199           200 
      1   0.235604D+01  0.566433D+00  0.604362D+00  0.227172D+01 -0.342122D-01
      2  -0.349996D+01  0.118604D+01 -0.991607D+00 -0.331146D+01 -0.113189D+01
      3   0.100971D+01 -0.235679D+01 -0.290607D+01 -0.251445D+01 -0.332361D+01
               201           202           203           204           205 
      1  -0.280990D+01  0.269090D+00  0.125161D+01 -0.223302D+01 -0.294816D+01
      2   0.482196D+01 -0.363021D+00 -0.219356D+01  0.145670D+01  0.873856D+00
      3  -0.356686D+00 -0.496782D+00 -0.165425D+01  0.218137D+01 -0.204509D+01
               206           207           208           209           210 
      1  -0.269427D+00  0.149156D+02 -0.275060D+01 -0.219228D+01 -0.374434D+01
      2   0.624529D+01 -0.224149D+02  0.360729D+01  0.310865D+01  0.456287D+01
      3   0.703317D+01 -0.522306D+01 -0.488224D+01 -0.931887D+01 -0.690594D+00
               211           212           213           214           215 
      1  -0.350653D+01 -0.563799D+01 -0.574024D+01 -0.360229D+01 -0.346172D+01
      2   0.324199D+01  0.754391D+01  0.583253D+01  0.368025D+01  0.690749D+01
      3  -0.359579D+01 -0.187776D+02 -0.496390D+01 -0.957746D+00 -0.103047D+02
               216           217           218           219           220 
      1  -0.350563D+01  0.290839D+00 -0.391778D+00 -0.506603D-01  0.137334D+00
      2   0.429324D+01 -0.941690D+01  0.235288D+00  0.108978D+02 -0.595658D-01
      3  -0.453443D+01 -0.608129D+00 -0.421684D+01 -0.331244D+00 -0.497193D+01
               221           222           223           224           225 
      1   0.370609D-01 -0.841062D+00 -0.646994D+00  0.251797D+01  0.913274D+00
      2  -0.256471D+01  0.620907D+00  0.160201D+02 -0.112063D+00 -0.357784D+02
      3   0.983132D+00  0.221471D+01 -0.827525D+00  0.599764D+01 -0.178284D+00
               226           227           228           229           230 
      1  -0.742547D+00  0.702980D+00  0.421334D+00  0.789754D+00 -0.245053D+01
      2   0.438970D+01 -0.242416D+01  0.512297D+01 -0.403402D+01  0.105362D+02
      3   0.955234D+01 -0.109730D+02  0.293619D+01 -0.153970D+02  0.336151D+02
               231           232           233           234           235 
      1  -0.161039D+01 -0.245154D+00  0.178398D+01  0.184788D+00  0.285915D+00
      2  -0.932704D+01  0.689486D+01 -0.722706D+01  0.561465D+01  0.836455D+01
      3  -0.109503D+02  0.446986D+01 -0.126014D+02  0.699500D+01 -0.125822D+02
               236           237           238           239           240 
      1   0.820519D+00 -0.896807D+00  0.290607D+00  0.119471D+01 -0.151598D+01
      2   0.438313D+01  0.922113D+01  0.696622D+01  0.944261D+01  0.968033D+01
      3  -0.129534D+02 -0.500370D+01 -0.173496D+02 -0.201942D+02 -0.101480D+02
               241           242           243           244           245 
      1  -0.663704D+00  0.150302D+01 -0.672021D+00  0.368829D+00 -0.314968D+00
      2   0.116108D+02  0.728094D+01  0.867962D+01 -0.593536D+01  0.190035D-01
      3  -0.727614D+01 -0.121253D+02 -0.735285D+01 -0.293361D+01 -0.182592D+01
               246           247           248           249           250 
      1  -0.879320D+00 -0.529843D-01 -0.135121D-01 -0.105938D+01 -0.124464D+01
      2   0.389423D+01  0.979765D-01 -0.269795D+01  0.433595D+01  0.138983D+01
      3  -0.480402D+00 -0.936802D+00 -0.121161D+01  0.297077D+01 -0.893164D+00
               251           252           253           254           255 
      1   0.263352D+01  0.340502D+01 -0.205421D+01  0.103084D+01 -0.240345D+01
      2   0.391718D+01 -0.193641D+02  0.150234D+02  0.392462D+01  0.654002D+01
      3   0.392304D+01 -0.240038D+01 -0.163318D+02 -0.168270D+02 -0.170287D+00
               256           257           258           259           260 
      1  -0.152157D+01 -0.609730D+01 -0.382548D+01 -0.829137D+00  0.126342D+01
      2   0.534226D+01  0.495447D+01  0.625519D+01  0.487051D+01  0.515255D+01
      3  -0.833381D+01  0.216607D+02 -0.388662D+01  0.522434D+00 -0.708656D+01
               261           262           263           264           265 
      1   0.927421D+01  0.946998D+00 -0.148928D+01  0.738324D+00 -0.288395D+01
      2  -0.189789D+02 -0.801828D+00  0.559317D+00  0.134950D+01  0.405861D+00
      3  -0.457411D+01  0.343746D+01 -0.540989D+01 -0.200683D+01 -0.595971D+01
               266           267           268           269           270 
      1   0.916186D+01 -0.223701D+01  0.413145D+00 -0.105927D+01  0.938757D+00
      2  -0.429852D+01 -0.577110D+01  0.314417D+00 -0.192659D+01 -0.136511D+01
      3   0.321509D+02  0.658888D+01  0.181464D+01 -0.549612D+01  0.182397D+01
               271           272           273           274           275 
      1   0.117312D+01  0.539275D+00 -0.230828D+01  0.934980D+00  0.706491D+00
      2  -0.795387D+01 -0.258446D+00  0.774472D+01 -0.938229D+00 -0.145139D+01
      3   0.152354D+02 -0.571430D+01 -0.110801D+01 -0.386600D+01 -0.751307D+00
               276           277           278           279           280 
      1  -0.157568D+00 -0.216687D+01  0.562490D+00 -0.148301D+00  0.148775D+01
      2  -0.498474D+00  0.466198D+01 -0.984091D-01 -0.144143D+00 -0.107573D+01
      3   0.866170D+00 -0.152413D+01  0.194770D+01  0.182312D+01 -0.534070D+01
               281           282           283           284           285 
      1  -0.768914D+00  0.169744D+01 -0.433755D+00  0.511809D+01 -0.405049D+01
      2  -0.108734D+01 -0.132297D+01 -0.829419D+00  0.332537D-02  0.287870D+01
      3   0.911326D+01 -0.115785D+00  0.543063D+01 -0.312644D+02  0.713987D+00
               286           287           288           289           290 
      1   0.741726D+00 -0.112819D+01  0.477328D+00 -0.181010D+01 -0.619090D+00
      2  -0.166695D+01  0.261364D+01  0.479924D+00  0.433993D+01 -0.244641D-01
      3  -0.116173D+01  0.443041D+01 -0.296867D+01  0.142647D+01  0.106747D+01
               291           292           293           294           295 
      1   0.523749D+00 -0.290842D+00 -0.217897D+01  0.101630D+01 -0.220635D+00
      2  -0.186341D+01  0.141239D+01  0.207519D+01 -0.323566D+01 -0.189714D+01
      3   0.115200D+01  0.964890D+00  0.185919D+00 -0.177673D+01  0.145918D+01
               296           297 
      1   0.345148D+01 -0.115613D+02
      2   0.198869D+00  0.251960D+02
      3  -0.449964D+01  0.594100D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.391872D+01 -0.812737D+01  0.200008D+02  0.187845D+02 -0.313039D+01
      2   0.759301D+01  0.390666D+01 -0.766020D+01 -0.480597D+01  0.404678D+01
      3  -0.367429D+01  0.422071D+01 -0.123406D+02 -0.139785D+02 -0.916388D+00
      4  -0.561992D+00  0.260364D+01  0.340330D-01  0.861951D+01  0.473699D+01
      5   0.180935D+02  0.104259D+01 -0.760013D+01 -0.497443D+01 -0.253632D+01
      6   0.234084D+00 -0.263714D+01  0.376966D+00 -0.597017D+00  0.405117D+01
                 6             7             8             9            10 
      1  -0.172600D+02 -0.257148D+02 -0.968397D+01  0.558933D+01  0.575087D+02
      2   0.128690D+01  0.405937D+01  0.160751D+01  0.418206D+01 -0.229803D+02
      3   0.159731D+02  0.216555D+02  0.807646D+01 -0.977139D+01 -0.345284D+02
      4  -0.398061D+01  0.391758D+01 -0.209786D+01 -0.510702D+01 -0.125722D+02
      5  -0.446325D+01  0.819902D+01 -0.466479D+01  0.644398D+01 -0.508438D+01
      6   0.119708D+02 -0.720289D+01  0.448366D+01  0.142219D+02  0.214673D+01
                11            12            13            14            15 
      1   0.729063D+01 -0.819422D+00  0.976301D+01 -0.570004D+00  0.639551D+01
      2  -0.584922D+01  0.314565D+01 -0.104622D+02  0.691816D+01 -0.768578D+00
      3  -0.144141D+01 -0.232623D+01  0.699185D+00 -0.634815D+01 -0.562693D+01
      4   0.155141D+01 -0.370344D+01  0.182898D+02 -0.568589D+01 -0.118090D+01
      5  -0.429963D+01  0.733904D+01  0.102732D+02 -0.106126D+01 -0.174205D+01
      6   0.638731D+00 -0.579903D+01 -0.519792D+01  0.394484D+01  0.803769D+01
                16            17            18            19            20 
      1  -0.819214D+01  0.628211D+01 -0.181127D+02 -0.526569D+00  0.539834D+01
      2  -0.645796D+00  0.399045D+01  0.177151D+01 -0.219422D+01 -0.267932D+01
      3   0.883793D+01 -0.102726D+02  0.163412D+02  0.272079D+01 -0.271902D+01
      4   0.133776D+02  0.176464D+01 -0.199239D+01  0.273283D+01 -0.591786D+00
      5  -0.126142D+02 -0.174320D+01 -0.416199D+01 -0.158436D+02  0.268312D+01
      6  -0.451776D+01  0.223206D+01 -0.452147D+01  0.284356D+01  0.401876D+01
                21            22            23            24            25 
      1  -0.248566D+02 -0.107959D+02 -0.472372D+01 -0.595533D+01  0.269298D+02
      2   0.667441D+01 -0.175866D+01  0.616319D+01 -0.104492D+00 -0.165061D+01
      3   0.181822D+02  0.125546D+02 -0.143946D+01  0.605982D+01 -0.252792D+02
      4   0.254677D+01  0.334790D+01 -0.220207D+01  0.415304D+01  0.456022D+01
      5  -0.269036D+01  0.105484D+01  0.250514D+01  0.661934D+01  0.108706D+02
      6   0.467559D+01  0.252432D+01  0.236685D+01  0.700712D+01  0.107843D+02
                26            27            28            29            30 
      1  -0.872893D+01  0.790732D+01  0.231429D+02 -0.144323D+01  0.146258D+01
      2   0.205570D+01 -0.211482D+01 -0.516552D+01  0.510436D+01  0.983682D+00
      3   0.667324D+01 -0.579251D+01 -0.179774D+02 -0.366113D+01 -0.244626D+01
      4   0.413993D+01  0.731268D+01  0.243459D+02  0.288380D+01 -0.176142D+01
      5   0.548184D+01 -0.464970D+01  0.296997D+01 -0.119275D+01  0.768449D+01
      6   0.163841D+01  0.100018D+02  0.499111D+01 -0.998047D+00  0.452098D+01
                31            32            33            34            35 
      1  -0.395638D+00 -0.380303D+00  0.791817D+01 -0.885930D+01  0.100425D+02
      2   0.680864D+01  0.482328D+01 -0.220769D+01  0.218280D+01  0.179934D+01
      3  -0.641300D+01 -0.444298D+01 -0.571048D+01  0.667650D+01 -0.118418D+02
      4   0.176335D+02  0.103728D+00  0.164172D+01  0.113823D+02  0.548539D+01
      5   0.116795D+02  0.132024D+00  0.109662D+01 -0.157862D+02  0.259303D+01
      6  -0.134910D+01  0.373548D+01  0.601035D+01 -0.133971D+01  0.220200D+01
                36            37            38            39            40 
      1  -0.206179D+02  0.823086D+01 -0.106485D+02  0.218316D+02  0.404619D+01
      2   0.311022D+01  0.950676D-01  0.923483D+01 -0.115930D+02  0.467025D+01
      3   0.175077D+02 -0.832593D+01  0.141366D+01 -0.102386D+02 -0.871644D+01
      4   0.631738D+00 -0.887125D+01 -0.171916D+01  0.441492D+01  0.164178D+02
      5  -0.310475D+01  0.119635D+02  0.228168D+01 -0.940227D+01 -0.186010D+01
      6  -0.687646D+01 -0.656610D+00 -0.494466D+01  0.486643D+01 -0.171351D+00
                41            42            43            44            45 
      1  -0.102931D+02 -0.741945D+01 -0.215653D+02 -0.463182D+01  0.972680D+01
      2   0.155457D+02 -0.102194D+02  0.233166D+01 -0.278744D+01 -0.954014D+00
      3  -0.525254D+01  0.176388D+02  0.192337D+02  0.741926D+01 -0.877279D+01
      4   0.703884D+01 -0.312180D+01 -0.228022D+01 -0.330890D+01 -0.675843D+01
      5  -0.165905D+01 -0.277721D+01  0.671927D+01 -0.621193D+01  0.880192D+01
      6  -0.613896D+01  0.594999D+01 -0.106713D+02  0.261975D+00  0.918763D+01
                46            47            48            49            50 
      1  -0.689290D+01  0.813433D+01 -0.239223D+02 -0.652945D+01 -0.157302D+02
      2   0.297259D+01 -0.685757D+01  0.769234D+01 -0.548668D+01  0.213581D+02
      3   0.392031D+01 -0.127676D+01  0.162299D+02  0.120161D+02 -0.562782D+01
      4   0.867969D+01  0.107831D+01  0.469437D+01  0.497784D+01 -0.656686D+01
      5  -0.130138D+02  0.533436D+01 -0.417747D+01  0.631156D+01  0.229186D+01
      6   0.430384D+01  0.423388D+01 -0.411550D+01 -0.299366D+00 -0.567096D+01
                51            52            53            54            55 
      1   0.297282D+01  0.377633D+02 -0.406294D+01  0.877423D+01 -0.468236D+02
      2  -0.104123D+02 -0.101232D+02 -0.158154D+00 -0.453325D+01  0.158434D+02
      3   0.743947D+01 -0.276401D+02  0.422109D+01 -0.424098D+01  0.309802D+02
      4   0.144149D+01 -0.321920D+01 -0.113173D+01  0.756822D+01  0.375468D+01
      5   0.640779D+01  0.282079D+01  0.676830D+01 -0.722628D+01 -0.229858D+01
      6   0.378469D+01  0.115744D+02 -0.295813D+01  0.771659D+01  0.143845D+01
                56            57            58            59            60 
      1  -0.956122D+01 -0.321562D+01 -0.436966D+02 -0.302890D+02 -0.454813D+01
      2   0.713657D+01 -0.169991D+01  0.301798D+02  0.349219D+01  0.483732D+01
      3   0.242466D+01  0.491553D+01  0.135168D+02  0.267968D+02 -0.289188D+00
      4  -0.246158D+02 -0.212471D+00 -0.532229D+02  0.276802D+02 -0.118777D+02
      5  -0.422772D+00 -0.102405D+02 -0.461970D+01 -0.121741D+02  0.119886D+01
      6   0.495139D+00  0.165449D+01 -0.991718D+00  0.402543D+01 -0.254635D+00
                61            62            63            64            65 
      1  -0.324025D+02 -0.772337D+01 -0.680095D+01 -0.455054D+02  0.154258D+02
      2   0.565811D+01  0.704258D+01  0.118025D+02  0.302222D+02 -0.313033D+01
      3   0.267444D+02  0.680785D+00 -0.500158D+01  0.152832D+02 -0.122954D+02
      4  -0.515936D+01 -0.211128D+02  0.704378D+01  0.164141D+02  0.287372D+02
      5  -0.244595D+02  0.442082D+01  0.389670D+02 -0.939607D+00  0.315630D+01
      6   0.370960D+01 -0.191431D+01 -0.665562D+01  0.106002D+01 -0.227123D+01
                66            67            68            69            70 
      1  -0.224437D+01  0.589597D+02  0.497260D+02 -0.141333D+00  0.229788D+02
      2  -0.166353D+01 -0.256279D+02 -0.262633D+02  0.187715D+01 -0.880713D+01
      3   0.390789D+01 -0.333318D+02 -0.234627D+02 -0.173581D+01 -0.141716D+02
      4   0.271769D+01  0.477860D+02 -0.140211D+02  0.155749D+02  0.669155D+01
      5   0.177822D+02  0.751973D+01  0.177192D+02  0.296392D+01  0.344688D+02
      6   0.299673D+01  0.326163D+01  0.452548D+01 -0.423354D+00  0.292160D+01
                71            72            73            74            75 
      1   0.235929D+01  0.334960D+02  0.522392D+02 -0.803786D+01 -0.752602D+01
      2   0.300060D+01 -0.842349D+01 -0.365785D+02 -0.708653D+01 -0.218882D+00
      3  -0.535989D+01 -0.250725D+02 -0.156607D+02  0.151244D+02  0.774491D+01
      4   0.199048D+02  0.523127D+01 -0.489500D+01 -0.308440D+02 -0.822259D+01
      5   0.443290D+01 -0.566934D+02 -0.733090D+01 -0.600509D+01 -0.123400D+02
      6   0.446774D+01 -0.672267D+01 -0.708578D+01 -0.247317D+01 -0.890123D+01
                76            77            78            79            80 
      1  -0.125390D+02 -0.317006D+02  0.302813D+01 -0.129020D+02  0.198983D+01
      2  -0.617532D+01  0.119245D+02 -0.116387D+02 -0.141248D+01 -0.147703D+02
      3   0.187143D+02  0.197761D+02  0.861053D+01  0.143144D+02  0.127805D+02
      4  -0.363059D+02 -0.137147D+02 -0.207649D+02 -0.929591D+01 -0.302277D+02
      5  -0.657932D+01 -0.202566D+02 -0.853747D+01 -0.204976D+02 -0.150251D+02
      6  -0.562986D+01 -0.165785D+02 -0.415969D+01 -0.107871D+02 -0.897852D+01
                81            82            83            84            85 
      1  -0.812899D+01  0.566158D+02 -0.185866D+02 -0.598665D+01 -0.331525D+02
      2   0.776167D+01 -0.306456D+02  0.872360D+01  0.134860D+01  0.156750D+02
      3   0.367313D+00 -0.259702D+02  0.986298D+01  0.463805D+01  0.174775D+02
      4  -0.197757D+02 -0.218678D+02 -0.394520D+02 -0.617886D+01 -0.624379D+02
      5   0.397907D+02 -0.974126D+01 -0.665730D+01 -0.322334D+02 -0.111356D+02
      6   0.197626D+02 -0.176771D+01 -0.487008D+01 -0.217906D+01 -0.934750D+01
                86            87            88            89            90 
      1  -0.548784D+02 -0.679769D+01 -0.174179D+02 -0.668572D+01 -0.440107D+02
      2   0.264609D+02  0.260299D+01  0.482822D+01  0.236668D+01  0.245593D+02
      3   0.284174D+02  0.419471D+01  0.125896D+02  0.431904D+01  0.194514D+02
      4   0.235085D+02 -0.411752D+02 -0.107294D+02 -0.405160D+02 -0.509137D+01
      5  -0.442998D+02 -0.427580D+01 -0.529280D+02 -0.403554D+01  0.493845D+02
      6   0.403514D+00 -0.499291D+01 -0.356904D+01 -0.535227D+01  0.132325D+01
                91            92            93            94            95 
      1   0.893746D+01 -0.356101D+01 -0.924200D+00 -0.827194D+01 -0.194719D+02
      2  -0.905720D+01 -0.234049D+01 -0.123803D+01  0.482351D+01  0.710416D+01
      3   0.119741D+00  0.590151D+01  0.216223D+01  0.344843D+01  0.123678D+02
      4  -0.206936D+02 -0.172537D+02 -0.849049D+01 -0.472945D+02  0.182369D+02
      5  -0.620389D+01 -0.780133D+01 -0.908111D+01 -0.144271D+02 -0.138635D+01
      6  -0.553195D+01 -0.212729D+01 -0.446072D+01 -0.241093D+01 -0.570275D+01
                96            97            98            99           100 
      1  -0.706773D+01 -0.155362D+02 -0.948973D+01 -0.136670D+01 -0.764740D+01
      2   0.426049D+00 -0.780039D+00 -0.115516D+01  0.763465D+01  0.162602D+01
      3   0.664168D+01  0.163162D+02  0.106449D+02 -0.626795D+01  0.602138D+01
      4  -0.997539D+00 -0.209703D+02 -0.148851D+02 -0.168447D+02  0.157752D+02
      5  -0.131997D+02 -0.150229D+02 -0.158211D+02  0.319240D+02 -0.174599D+02
      6  -0.341002D+01 -0.847635D+01 -0.288019D+01  0.934554D+01  0.529101D+01
               101           102           103           104           105 
      1   0.706276D+01 -0.843175D+01  0.225087D+02  0.337701D+01  0.101585D+02
      2  -0.697699D+00  0.597108D+01 -0.169318D+02  0.468052D+01 -0.290931D+01
      3  -0.636506D+01  0.246066D+01 -0.557687D+01 -0.805753D+01 -0.724915D+01
      4  -0.296100D+01  0.776487D+01  0.945576D+00 -0.209168D+02 -0.356666D+01
      5   0.706512D+01 -0.413955D+01  0.813582D+01 -0.328000D+01  0.264853D+02
      6  -0.575491D+01  0.606037D+01 -0.962687D+00 -0.155970D+01 -0.156118D+02
               106           107           108           109           110 
      1  -0.278774D+02  0.122020D+02 -0.582290D+01  0.466068D+02 -0.139562D+02
      2   0.984376D+01  0.375302D+01  0.405332D+01 -0.221601D+02  0.445163D+01
      3   0.180336D+02 -0.159550D+02  0.176958D+01 -0.244466D+02  0.950457D+01
      4   0.249964D+02 -0.231554D+02  0.221931D+02 -0.264117D+02  0.211796D+02
      5  -0.213617D+02  0.203098D+02 -0.240332D+02  0.323479D+02 -0.647034D+01
      6   0.117658D+02 -0.181858D+02  0.542767D+01 -0.111719D+02  0.413682D+01
               111           112           113           114           115 
      1   0.248692D+02 -0.182736D+02  0.469321D+01 -0.185754D+01  0.460938D+02
      2  -0.149135D+02  0.378760D+01  0.666603D+01 -0.120332D+01 -0.216561D+02
      3  -0.995570D+01  0.144860D+02 -0.113592D+02  0.306086D+01 -0.244377D+02
      4  -0.105500D+02  0.262677D+02 -0.224880D+02  0.179670D+02 -0.287923D+02
      5   0.231376D+02 -0.124692D+02  0.174304D+02 -0.204183D+02  0.374711D+02
      6  -0.763620D+01  0.590570D+01 -0.116214D+02  0.177458D+02 -0.111811D+02
               116           117           118           119           120 
      1  -0.624861D+01  0.113560D+02  0.610749D+00 -0.100911D+02 -0.130620D+02
      2  -0.374860D+01 -0.157136D+02 -0.377640D+01  0.130292D+02  0.837263D+01
      3   0.999720D+01  0.435764D+01  0.316566D+01 -0.293808D+01  0.468941D+01
      4   0.356602D+02 -0.192925D+02  0.123822D+01 -0.827149D+01  0.289481D+01
      5  -0.178594D+02  0.602092D+02 -0.819480D+01 -0.174021D+01  0.596369D+01
      6   0.165375D+02 -0.273926D+02  0.337692D+01  0.581642D+01  0.137866D+01
               121           122           123           124           125 
      1  -0.684310D+01 -0.543783D+01 -0.588930D+01 -0.152241D+02 -0.740879D+01
      2   0.153636D+02 -0.185176D+02  0.145925D+01  0.817100D+01  0.671851D+01
      3  -0.852050D+01  0.239555D+02  0.443005D+01  0.705314D+01  0.690284D+00
      4  -0.125385D+02  0.497066D+02 -0.136345D+01  0.135197D+02 -0.162269D+02
      5   0.100431D+01 -0.716739D+00 -0.521593D+01  0.181392D+02 -0.181449D+02
      6   0.313147D+01  0.747927D+00  0.106266D+02 -0.739100D+01  0.208146D+02
               126           127           128           129           130 
      1  -0.914340D+01 -0.106616D+01 -0.697085D-01  0.351787D+01 -0.294651D+01
      2  -0.680301D+01 -0.523856D+01 -0.128710D+01  0.553031D+01 -0.546072D+00
      3   0.159464D+02  0.630472D+01  0.135680D+01 -0.904818D+01  0.349258D+01
      4  -0.159744D+02  0.115042D+01  0.242234D+01 -0.908517D+00  0.134355D+01
      5  -0.340329D+02 -0.932189D+01 -0.261550D+01  0.121541D+02 -0.277625D+01
      6   0.230953D+02  0.171201D+00 -0.156973D+01 -0.479182D+00 -0.128262D+01
               131           132           133           134           135 
      1  -0.374123D+01  0.818485D+01  0.394705D+01  0.501964D+01 -0.250522D+02
      2  -0.502335D+00  0.313420D+01  0.678625D+01  0.212857D+01 -0.146458D+02
      3   0.424356D+01 -0.113191D+02 -0.107333D+02 -0.714822D+01  0.396981D+02
      4   0.116687D+01 -0.152002D+01 -0.178602D+01 -0.310128D+01  0.212155D+01
      5  -0.283233D+01  0.447164D+01  0.118746D+02  0.408295D+01 -0.192012D+02
      6  -0.306383D+01  0.263538D+01  0.998472D+00  0.554090D+01 -0.281939D+01
               136           137           138           139           140 
      1   0.320280D+01  0.472229D-01 -0.157896D+01  0.200449D+00 -0.207865D+01
      2  -0.554686D+01  0.101496D+01 -0.427223D+01  0.220758D+01 -0.313818D+00
      3   0.234406D+01 -0.106218D+01  0.585119D+01 -0.240803D+01  0.239247D+01
      4  -0.239410D+01  0.366751D+01 -0.132933D+01  0.242526D+01 -0.287585D+01
      5   0.114821D+02 -0.308006D+01  0.101430D+02 -0.446866D+01  0.332919D+01
      6  -0.591275D+00  0.175983D+01 -0.893231D+00  0.870019D+00 -0.284493D+01
               141           142           143           144           145 
      1   0.513650D+01 -0.400279D+01  0.407043D+01 -0.129078D+02 -0.292136D+01
      2   0.211025D+01 -0.528871D+01  0.108901D+01 -0.853786D+01 -0.288373D+01
      3  -0.724675D+01  0.929150D+01 -0.515944D+01  0.214457D+02  0.580509D+01
      4   0.144828D+01 -0.206547D+01  0.318874D+01 -0.262224D+01  0.553983D+01
      5  -0.588779D+01  0.125145D+02 -0.449176D+01  0.163574D+02 -0.948946D+01
      6   0.241395D+01 -0.192820D+01  0.475013D+01 -0.358884D+01 -0.581976D+01
               146           147           148           149           150 
      1  -0.176588D+01  0.566277D+01 -0.313185D+01 -0.529252D+01  0.938122D+01
      2   0.188522D+00  0.304508D+01 -0.349288D+00  0.135620D+01  0.272878D+00
      3   0.157736D+01 -0.870785D+01  0.348114D+01  0.393632D+01 -0.965410D+01
      4   0.366290D+01 -0.555985D+01  0.251019D+01  0.197591D+01 -0.308938D+01
      5  -0.367536D+01  0.124213D+02 -0.337816D+01 -0.294951D+01  0.435063D+01
      6  -0.348390D+01  0.637262D+01 -0.314481D+01 -0.580698D+01  0.931336D+01
               151           152           153           154           155 
      1   0.803025D+01  0.112077D+02 -0.307986D+02  0.254934D+01  0.255256D+01
      2   0.231723D+01 -0.265228D+01 -0.615276D+01 -0.322979D+01 -0.215981D+01
      3  -0.103475D+02 -0.855538D+01  0.369514D+02  0.680443D+00 -0.392750D+00
      4  -0.588983D+01 -0.513771D+01  0.826630D+01 -0.109222D+02  0.765056D+01
      5   0.112453D+02  0.555726D+01 -0.186639D+02  0.157778D+02 -0.627230D+01
      6   0.854899D+01  0.128569D+02 -0.239913D+02 -0.909167D+01  0.592581D+01
               156           157           158           159           160 
      1  -0.218645D+01  0.979045D+00 -0.421033D+01  0.558113D+01 -0.458971D+01
      2  -0.219019D+01  0.771601D+00  0.228390D+01 -0.244362D+00 -0.256927D+01
      3   0.437664D+01 -0.175065D+01  0.192643D+01 -0.533677D+01  0.715898D+01
      4  -0.851699D+01  0.497777D+01 -0.556873D+01  0.605462D+01 -0.897024D+01
      5   0.142756D+02 -0.738093D+01  0.522787D+01 -0.824819D+01  0.155055D+02
      6  -0.896287D+01  0.561541D+01 -0.644536D+01  0.881098D+01 -0.106686D+02
               161           162           163           164           165 
      1   0.845514D+01 -0.162075D+02  0.804674D+01  0.434087D+00 -0.726987D+01
      2  -0.352626D+01 -0.280100D+01 -0.796870D+01 -0.652419D+00  0.636872D+01
      3  -0.492888D+01  0.190085D+02 -0.780399D-01  0.218332D+00  0.901149D+00
      4   0.738405D+01 -0.108813D+02 -0.184851D+01  0.695570D+01  0.407472D+01
      5  -0.797613D+01  0.208136D+02 -0.137029D+02  0.268294D+01  0.148431D+02
      6   0.118055D+02 -0.187656D+02  0.219593D+01 -0.137913D+01 -0.221176D+01
               166           167           168           169           170 
      1   0.886670D+01  0.186039D+01 -0.180768D+01 -0.145826D+02 -0.313713D+01
      2  -0.547146D+01 -0.730797D+00  0.140237D+01  0.135941D+02  0.436136D+00
      3  -0.339524D+01 -0.112959D+01  0.405308D+00  0.988522D+00  0.270100D+01
      4   0.756935D+01 -0.391462D+01 -0.469561D+01  0.575910D+01 -0.839245D+01
      5  -0.590473D+00 -0.499704D+01  0.986462D+00  0.224277D+02 -0.832777D+01
      6  -0.167013D+01  0.152413D+01  0.526921D+01 -0.522857D+01  0.629735D+01
               171           172           173           174           175 
      1  -0.555230D+01  0.227094D+02 -0.890379D+01  0.385416D+01 -0.149453D+02
      2  -0.137255D+02 -0.450239D+01 -0.587847D+00 -0.876570D+00 -0.314481D+01
      3   0.192778D+02 -0.182070D+02  0.949163D+01 -0.297759D+01  0.180901D+02
      4  -0.110659D+02 -0.223580D+02  0.242229D+02 -0.162658D+01  0.365717D+02
      5  -0.449945D+02  0.467351D+01 -0.428556D+00  0.472388D+01 -0.110189D+01
      6   0.121055D+02 -0.108415D+01 -0.217781D+00 -0.116422D+01  0.524735D+00
               176           177           178           179           180 
      1   0.228052D+00  0.387280D+00  0.206558D+02  0.123118D+01  0.145422D+01
      2   0.215540D+02 -0.266951D+01 -0.632323D+01 -0.470557D+01  0.680037D-02
      3  -0.217820D+02  0.228223D+01 -0.143325D+02  0.347440D+01 -0.146102D+01
      4  -0.528706D+02  0.611080D+01 -0.956745D+01  0.155709D+02 -0.898838D+01
      5   0.554325D+01 -0.575505D+01  0.889442D+01 -0.788327D+01  0.220724D+01
      6  -0.121171D+01  0.447220D+01 -0.351392D+01  0.563539D+01 -0.214405D+01
               181           182           183           184           185 
      1  -0.254232D+01 -0.306316D+01  0.115045D+02 -0.961436D+01 -0.115418D+02
      2  -0.249369D+01  0.736859D+00 -0.336920D+01  0.423961D+01  0.514821D+01
      3   0.503601D+01  0.232630D+01 -0.813526D+01  0.537475D+01  0.639363D+01
      4  -0.468680D+01 -0.426208D+01  0.417963D-01 -0.346386D+01  0.104593D+01
      5   0.760118D+01 -0.360119D+00 -0.234399D+01  0.998512D+00  0.459768D+01
      6   0.125575D+01  0.393511D-01 -0.149378D+01 -0.451188D+00  0.167747D+00
               186           187           188           189           190 
      1  -0.195702D+00  0.207616D+02 -0.657466D+00 -0.234104D+02 -0.552452D+02
      2   0.907899D+00 -0.932751D+01  0.132570D+01 -0.891040D+01  0.318100D+02
      3  -0.712197D+00 -0.114341D+02 -0.668238D+00  0.323208D+02  0.234353D+02
      4   0.415715D+01  0.150980D+01  0.667382D+01 -0.205149D+01 -0.166108D+02
      5  -0.947401D+00 -0.252524D+00 -0.583004D+00  0.526752D+02  0.318618D+01
      6   0.653330D+01 -0.206622D+00  0.331769D+01  0.675747D+01  0.259669D+01
               191           192           193           194           195 
      1   0.151190D+02  0.243717D+01  0.739954D+01 -0.101560D+02 -0.757068D+00
      2  -0.151980D+02 -0.114453D+01 -0.789663D+01  0.971351D+01  0.164021D+01
      3   0.789207D-01 -0.129264D+01  0.497093D+00  0.442469D+00 -0.883146D+00
      4  -0.464198D+01  0.248643D+01  0.204901D+01 -0.295129D+00  0.214677D+01
      5   0.118598D+01 -0.177545D+01  0.658544D-01  0.255341D+01  0.862951D+00
      6   0.247131D+00 -0.330125D+01  0.599753D+00  0.124714D+01  0.203097D+01
               196           197           198           199           200 
      1   0.410297D+01 -0.256989D+01 -0.560664D+01  0.222534D+01  0.195534D+01
      2  -0.140441D+01  0.321866D+01  0.237845D+01 -0.168896D+01  0.145420D+01
      3  -0.269856D+01 -0.648770D+00  0.322818D+01 -0.536381D+00 -0.340955D+01
      4   0.138799D+01  0.395817D+01  0.192149D+01  0.596121D+01  0.958091D+01
      5   0.110916D+01  0.298978D+01 -0.313912D+01 -0.100588D+02 -0.357321D+01
      6  -0.226202D+01  0.378323D+01 -0.101639D+01 -0.393011D+01 -0.188237D+01
               201           202           203           204           205 
      1  -0.690712D+01 -0.733749D+00 -0.467726D+00  0.276751D+01 -0.105739D+02
      2   0.521625D+01  0.238398D+01  0.192143D+01 -0.283624D+01  0.760087D+01
      3   0.169088D+01 -0.165023D+01 -0.145370D+01  0.687251D-01  0.297300D+01
      4  -0.554284D+01  0.629176D+01  0.689649D+01 -0.546007D+01 -0.877073D+01
      5   0.136526D+02 -0.785255D+00 -0.576500D+01  0.377848D+01  0.156910D+02
      6   0.516271D+01 -0.164332D+01 -0.350127D+01  0.778158D+01  0.730099D+01
               206           207           208           209           210 
      1   0.593240D+01 -0.715456D+01  0.143096D+02  0.100058D+02  0.585060D+01
      2  -0.553098D+01 -0.812890D+01  0.214015D+01  0.773057D+01 -0.165470D+00
      3  -0.401424D+00  0.152835D+02 -0.164498D+02 -0.177364D+02 -0.568513D+01
      4  -0.139465D+02  0.168629D+02  0.277984D+02  0.348246D+02  0.879785D+01
      5   0.147050D+02 -0.495798D+02  0.834145D+01  0.616658D+01  0.890317D+01
      6   0.126466D+02 -0.284318D+02  0.536600D+01  0.465967D+01  0.606180D+01
               211           212           213           214           215 
      1   0.863332D+01 -0.167736D+01 -0.855306D+00  0.997974D+01 -0.180900D+01
      2   0.893574D+01  0.305463D+02  0.793426D+01 -0.465496D+00  0.122637D+02
      3  -0.175691D+02 -0.288690D+02 -0.707895D+01 -0.951424D+01 -0.104547D+02
      4   0.345534D+02  0.565969D+02  0.157875D+02  0.164495D+02  0.275366D+02
      5   0.692824D+01  0.141565D+02  0.105040D+02  0.116961D+02  0.144405D+02
      6   0.582592D+01  0.124890D+02  0.981796D+01  0.785664D+01  0.125717D+02
               216           217           218           219           220 
      1   0.145074D+01  0.253784D+02  0.129555D+01 -0.194824D+02  0.402901D+01
      2   0.253889D+01 -0.150946D+02 -0.578887D+00  0.113028D+02 -0.181457D+01
      3  -0.398963D+01 -0.102838D+02 -0.716667D+00  0.817963D+01 -0.221444D+01
      4   0.164258D+02  0.211420D+01  0.806193D+01  0.296590D+00  0.150857D+02
      5   0.931944D+01 -0.207264D+02  0.691561D+00  0.234171D+02  0.107426D+00
      6   0.818433D+01 -0.362842D+00  0.260009D+00  0.419469D+00 -0.109926D+01
               221           222           223           224           225 
      1   0.103804D+02  0.603226D+00 -0.481450D+02  0.194646D+01  0.289876D+02
      2  -0.524656D+01 -0.606507D+00  0.287319D+02 -0.156321D+01 -0.239254D+02
      3  -0.513388D+01  0.328098D-02  0.194132D+02 -0.383257D+00 -0.506220D+01
      4  -0.182798D+01 -0.525780D+01  0.278674D+00 -0.105735D+02  0.823602D+00
      5  -0.501138D+01  0.123955D+01  0.433883D+02 -0.138110D+00 -0.704462D+02
      6  -0.548400D+00  0.424599D+01  0.159929D+01  0.401751D+01 -0.200144D+01
               226           227           228           229           230 
      1   0.245619D+02 -0.205027D+02  0.101254D+02 -0.436443D+02  0.303399D+02
      2  -0.116504D+02  0.969447D+01 -0.528749D+01  0.210191D+02 -0.949191D+01
      3  -0.129114D+02  0.108082D+02 -0.483793D+01  0.226252D+02 -0.208480D+02
      4  -0.211704D+02  0.235256D+02 -0.657197D+01  0.417696D+02 -0.650331D+02
      5   0.117167D+02 -0.731378D+01  0.111335D+02 -0.139018D+02  0.234123D+02
      6  -0.236819D+01  0.188294D+01 -0.877171D+00  0.431272D+01 -0.698409D+01
               231           232           233           234           235 
      1  -0.848437D+01  0.201923D+02 -0.725242D+01  0.134739D+02  0.592649D+02
      2   0.486310D+01 -0.113072D+02  0.458154D+01 -0.936371D+01 -0.286333D+02
      3   0.362127D+01 -0.888509D+01  0.267088D+01 -0.411016D+01 -0.306315D+02
      4   0.219991D+02 -0.109109D+02  0.236763D+02 -0.143115D+02  0.335869D+02
      5  -0.183789D+02  0.208873D+02 -0.155233D+02  0.128136D+02  0.247622D+02
      6   0.559302D+01 -0.240671D+01  0.604396D+01 -0.408911D+01  0.511401D+01
               236           237           238           239           240 
      1   0.279499D+02  0.197484D+02  0.583196D+02  0.303169D+02  0.135531D+02
      2  -0.126086D+02 -0.103969D+02 -0.261150D+02 -0.913806D+01 -0.663593D+01
      3  -0.153413D+02 -0.935147D+01 -0.322046D+02 -0.211789D+02 -0.691719D+01
      4   0.273272D+02  0.118530D+02  0.461709D+02  0.415927D+02  0.214188D+02
      5   0.122582D+02  0.197583D+02  0.217049D+02  0.219697D+02  0.200323D+02
      6   0.312483D+01  0.282877D+01  0.682152D+01  0.692552D+01  0.618924D+01
               241           242           243           244           245 
      1   0.373739D+02  0.117764D+02  0.212686D+02  0.570282D+00  0.339268D+01
      2  -0.201033D+02 -0.580740D+01 -0.137602D+02 -0.408334D+01 -0.162179D+01
      3  -0.172707D+02 -0.596897D+01 -0.750843D+01  0.351306D+01 -0.177089D+01
      4   0.188938D+02  0.234076D+02  0.161443D+02  0.629148D+01  0.558013D+01
      5   0.329658D+02  0.166577D+02  0.205054D+02 -0.123328D+02 -0.159370D+01
      6   0.579200D+01  0.639861D+01  0.575684D+01 -0.386296D+01 -0.378463D+00
               246           247           248           249           250 
      1  -0.703683D+01  0.376863D+01  0.346106D+00  0.209013D+01 -0.853758D+01
      2   0.542237D+01 -0.157782D+01 -0.116156D+00 -0.446788D+00  0.897220D+01
      3   0.161446D+01 -0.219081D+01 -0.229951D+00 -0.164335D+01 -0.434623D+00
      4  -0.263389D+01  0.943832D+01  0.476968D+01 -0.746305D+01 -0.481650D+01
      5   0.125915D+02 -0.227929D+01 -0.749005D+01  0.891975D+01  0.175856D+02
      6   0.232249D+01 -0.176683D+01 -0.393886D+01  0.707193D+01  0.340295D+01
               251           252           253           254           255 
      1   0.241170D+01 -0.546298D+01 -0.892512D+02 -0.147810D+02  0.794698D+01
      2   0.530469D+00 -0.131592D+02  0.445047D+02  0.172871D+02 -0.534874D+01
      3  -0.294217D+01  0.186222D+02  0.447465D+02 -0.250612D+01 -0.259824D+01
      4  -0.109340D+02  0.977920D+01 -0.226683D+02  0.251585D+02  0.837498D+01
      5   0.838025D+01 -0.422920D+02  0.100863D+02  0.502559D+01  0.100881D+02
      6   0.618757D+01 -0.122710D+02  0.824901D+01  0.374578D+01  0.405837D+01
               256           257           258           259           260 
      1   0.116137D+02  0.369844D+02  0.267734D+00  0.274596D+02  0.153477D+01
      2   0.216164D+01 -0.370162D+02  0.219691D+00 -0.944439D+01  0.427272D+01
      3  -0.137754D+02  0.318050D-01 -0.487425D+00 -0.180152D+02 -0.580749D+01
      4   0.366383D+02 -0.155563D+02  0.116104D+02  0.224713D+02  0.206969D+02
      5   0.117871D+02  0.145442D+02  0.131657D+02  0.158475D+02  0.113487D+02
      6   0.767995D+01  0.509476D+01  0.716158D+01  0.848725D+01  0.730469D+01
               261           262           263           264           265 
      1   0.133717D+02  0.472084D+01 -0.767390D+01 -0.163489D+01 -0.380002D+01
      2   0.617445D+01  0.368659D+01 -0.336866D+01 -0.297273D+00 -0.944494D+01
      3  -0.195462D+02 -0.840743D+01  0.110426D+02  0.193216D+01  0.132450D+02
      4   0.148418D+02 -0.153732D+02  0.227276D+02  0.481876D+01  0.287665D+02
      5  -0.276795D+02 -0.537531D+01  0.618457D+01  0.404541D+01  0.745060D+01
      6  -0.893029D+01  0.371081D+01 -0.437963D+01 -0.179151D+01 -0.604399D+01
               266           267           268           269           270 
      1  -0.119113D+02 -0.349877D+01  0.591295D+00 -0.121229D+00 -0.180891D+01
      2   0.417766D+02  0.585172D+01  0.285589D+01 -0.793516D+01  0.183170D+01
      3  -0.298654D+02 -0.235295D+01 -0.344719D+01  0.805639D+01 -0.227901D-01
      4  -0.704739D+02 -0.140302D+02 -0.478292D+01  0.113164D+02 -0.387461D+01
      5  -0.164104D+02 -0.121302D+02  0.210944D+01 -0.366589D+01 -0.355816D+01
      6   0.186407D+02  0.922217D+01 -0.123877D+01  0.418644D+01  0.239182D+01
               271           272           273           274           275 
      1   0.132664D+03  0.149475D+02 -0.398762D+01 -0.275907D+01  0.742248D+01
      2  -0.614565D+02 -0.294169D+01  0.158660D+01  0.475497D+01 -0.858787D-01
      3  -0.712072D+02 -0.120058D+02  0.240102D+01 -0.199590D+01 -0.733660D+01
      4   0.519589D+02  0.208812D+02  0.224006D+00  0.139239D+02  0.730670D+01
      5   0.441858D+01  0.158511D+01  0.127700D+02 -0.961703D+00 -0.179958D+01
      6  -0.494624D+00  0.138109D+01  0.402033D+01 -0.701143D-02 -0.262876D+00
               276           277           278           279           280 
      1   0.149521D+00 -0.174897D+02 -0.183189D+01  0.990173D+01  0.259074D+00
      2  -0.314816D+00  0.715283D+01 -0.773750D+00 -0.691048D+01  0.335618D+01
      3   0.165295D+00  0.103369D+02  0.260564D+01 -0.299125D+01 -0.361525D+01
      4  -0.203273D+01 -0.889191D+01 -0.590539D+01  0.290276D+01  0.408485D+01
      5  -0.116670D+01  0.142092D+02  0.836794D+00 -0.400864D+00 -0.231100D+01
      6   0.551406D-01  0.396709D+01  0.895359D+00 -0.184548D+00 -0.945041D+00
               281           282           283           284           285 
      1   0.153517D+02 -0.119549D+01  0.111280D+02 -0.339933D+02 -0.181491D+00
      2  -0.163514D+02  0.901466D+00 -0.514836D+01  0.548810D+02 -0.930836D+00
      3   0.999764D+00  0.294029D+00 -0.597968D+01 -0.208877D+02  0.111233D+01
      4  -0.854578D+01 -0.212074D+01  0.842649D+01  0.516772D+02 -0.493558D+00
      5  -0.229976D+00 -0.273022D+01  0.122980D+01 -0.310417D+01  0.553996D+01
      6  -0.156490D+01 -0.239722D+01 -0.210090D+00  0.412171D+01  0.643106D+01
               286           287           288           289           290 
      1  -0.532580D+01  0.176724D+01 -0.603927D+01  0.669253D+01  0.151615D+01
      2   0.156026D+01 -0.548213D+01  0.482046D+01 -0.617422D+01 -0.224920D+01
      3   0.376554D+01  0.371489D+01  0.121881D+01 -0.518308D+00  0.733042D+00
      4  -0.457820D+01 -0.967695D+01  0.363800D+01  0.308742D+00 -0.282261D+01
      5   0.576531D-01  0.490880D+01  0.448981D+00  0.399012D+01 -0.113112D+01
      6  -0.607291D+00  0.686982D+01 -0.398344D+00  0.419406D+00 -0.143377D+01
               291           292           293           294           295 
      1   0.609935D+01 -0.548038D+01 -0.620068D+01 -0.845536D+00  0.107573D+02
      2  -0.254772D+01  0.208112D+01  0.346100D+01  0.329669D+01 -0.665890D+01
      3  -0.355163D+01  0.339926D+01  0.273968D+01 -0.245115D+01 -0.409837D+01
      4   0.374996D+00 -0.350392D+01 -0.219888D+01  0.254151D+01  0.628128D+01
      5   0.848507D+00 -0.256150D+01  0.231684D+01 -0.547933D+01  0.102546D+02
      6  -0.111285D+01 -0.814489D+00  0.349770D+00  0.159198D+01  0.231707D+01
               296           297 
      1  -0.117294D+01 -0.120337D+02
      2   0.342841D+01 -0.133437D+02
      3  -0.225546D+01  0.253774D+02
      4   0.996582D+01  0.923402D+00
      5   0.201037D+01  0.451771D+02
      6   0.482432D+01  0.180034D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.705798D+00      0.179396D+01      0.598400D+01
   x          0.430043D+00      0.109306D+01      0.364606D+01
   y         -0.159800D+00     -0.406172D+00     -0.135484D+01
   z          0.536356D+00      0.136328D+01      0.454741D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159673D+03      0.236611D+02      0.263265D+02
   aniso      0.740059D+02      0.109665D+02      0.122019D+02
   xx         0.207844D+03      0.307992D+02      0.342688D+02
   yx        -0.140721D+01     -0.208527D+00     -0.232018D+00
   yy         0.130367D+03      0.193184D+02      0.214947D+02
   zx         0.209508D+01      0.310458D+00      0.345431D+00
   zy        -0.718914D+01     -0.106532D+01     -0.118533D+01
   zz         0.140807D+03      0.208655D+02      0.232160D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.170418D+03      0.252533D+02      0.280981D+02
   aniso      0.821410D+02      0.121720D+02      0.135432D+02
   xx         0.224030D+03      0.331978D+02      0.369375D+02
   yx        -0.217040D+01     -0.321620D+00     -0.357851D+00
   yy         0.138302D+03      0.204943D+02      0.228030D+02
   zx         0.198194D+01      0.293693D+00      0.326778D+00
   zy        -0.751934D+01     -0.111425D+01     -0.123977D+01
   zz         0.148922D+03      0.220679D+02      0.245539D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.32021683         -0.96335226         -0.91259901
     6          2.33977432         -1.22295411          1.70887299
     6          0.07173694         -0.95437008         -2.26350032
     6         -2.23733456         -1.20512091         -1.02299306
     6         -2.23097746         -1.45983919          1.59553644
     6          0.02267332         -1.47599383          2.93744475
     6          4.76580916         -1.15621688          3.19054485
     6          5.23564299          1.36558847          4.57101207
     6          5.44216639          3.57451282          2.72452467
     6          7.59071658          1.17429369          6.23014667
     6         -4.70651516         -1.24967653         -2.49013009
     6         -4.93038723          1.17806930         -3.99714303
     8         -4.29500257          1.46233727         -6.16284614
     8         -5.89909388          3.07995506         -2.59094645
     1          4.09505832         -0.75829382         -1.91218383
     1          0.11156181         -0.73267518         -4.29708215
     1         -4.00774535         -1.65418122          2.59389264
     1         -0.02046544         -1.68915360          4.97402781
     1          6.36022973         -1.52569771          1.92737702
     1          4.75513293         -2.67594162          4.59135209
     1          3.60516653          1.70971496          5.80021212
     1          3.74018558          3.76844322          1.57967442
     1          7.04055122          3.30398605          1.44166296
     1          5.74021450          5.34941872          3.73292824
     1          9.26873737          0.81481035          5.07861312
     1          7.42535594         -0.36143208          7.59895365
     1          7.91078646          2.92552165          7.27291746
     1         -6.24672022         -1.25619038         -1.12039143
     6         -4.92017840         -3.55945481         -4.21532508
     1         -5.89098949          4.58128176         -3.64334716
     1         -6.73934865         -3.59089511         -5.18440968
     1         -4.73451622         -5.27962374         -3.09782075
     1         -3.44049678         -3.54032301         -5.64439735

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.705798D+00      0.179396D+01      0.598400D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.705798D+00      0.179396D+01      0.598400D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159673D+03      0.236611D+02      0.263265D+02
   aniso      0.740059D+02      0.109665D+02      0.122019D+02
   xx         0.180979D+03      0.268183D+02      0.298394D+02
   yx         0.666441D+01      0.987564D+00      0.109881D+01
   yy         0.128078D+03      0.189792D+02      0.211172D+02
   zx         0.316571D+02      0.469109D+01      0.521955D+01
   zy         0.167349D+00      0.247985D-01      0.275921D-01
   zz         0.169962D+03      0.251857D+02      0.280229D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.170418D+03      0.252533D+02      0.280981D+02
   aniso      0.821410D+02      0.121720D+02      0.135432D+02
   xx         0.194163D+03      0.287721D+02      0.320132D+02
   yx         0.673534D+01      0.998074D+00      0.111051D+01
   yy         0.135808D+03      0.201246D+02      0.223917D+02
   zx         0.355499D+02      0.526795D+01      0.586138D+01
   zy        -0.946973D-01     -0.140327D-01     -0.156135D-01
   zz         0.181283D+03      0.268633D+02      0.298895D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-K07-34\Freq\RB3LYP\Gen\C13H18O2\PIERPA\27-Sep-2021\0\\#P 
 B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSymm
 ,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq\\ROA calculat
 ions.\\0,1\C,0.6346,-0.289354,-1.230513\C,1.477234,-0.735999,-0.213732
 \C,-0.739449,-0.216152,-1.047711\C,-1.314029,-0.589385,0.165609\C,-0.4
 77653,-1.033716,1.186048\C,0.895358,-1.109311,0.997103\C,2.970726,-0.7
 78602,-0.392123\C,3.71661,0.371103,0.313667\C,3.29911,1.735765,-0.2308
 08\C,5.226988,0.171727,0.198605\C,-2.81993,-0.538917,0.366414\C,-3.298
 609,0.879642,0.123443\O,-3.719796,1.31152,-0.918273\O,-3.170806,1.6481
 02,1.229132\H,1.061897,0.009379,-2.180173\H,-1.369308,0.143045,-1.8517
 68\H,-0.905706,-1.326876,2.137119\H,1.525155,-1.46462,1.804458\H,3.213
 87,-0.75095,-1.458443\H,3.35489,-1.727657,-0.007445\H,3.446407,0.33299
 9,1.374915\H,2.22736,1.901968,-0.119193\H,3.541664,1.81678,-1.29447\H,
 3.82232,2.539192,0.291263\H,5.541448,0.194608,-0.84858\H,5.535582,-0.7
 88131,0.618372\H,5.769492,0.959785,0.724559\H,-3.021671,-0.770261,1.41
 3061\C,-3.561205,-1.527762,-0.535197\H,-3.444471,2.545855,0.983186\H,-
 4.634564,-1.503266,-0.342117\H,-3.194719,-2.537711,-0.351766\H,-3.4033
 43,-1.285337,-1.584678\\Version=ES64L-G16RevA.03\State=1-A\HF=-657.024
 3642\RMSD=2.560e-09\RMSF=3.648e-06\ZeroPoint=0.2841412\Thermal=0.29983
 04\Dipole=0.4300431,-0.1598002,0.5363558\DipoleDeriv=-0.1403361,-0.010
 7462,-0.0483694,0.0162924,-0.0902,-0.0699909,-0.0798891,-0.0520712,0.0
 663827,0.3449519,0.0510663,-0.0186241,0.0023672,-0.0852936,-0.0165524,
 -0.03983,-0.0185592,-0.0762985,-0.0841383,-0.0088268,0.0341279,-0.0188
 388,-0.090888,-0.0422746,0.0582161,-0.0431208,-0.0099287,0.3032713,-0.
 0982065,0.0058671,0.0186181,-0.1403773,-0.0030862,-0.0438412,0.011636,
 -0.0756175,-0.0723587,0.0166486,-0.0473511,0.0175594,-0.0941396,-0.055
 9843,-0.0140811,-0.0749259,0.0727434,-0.1346237,-0.0412817,0.0545134,-
 0.0554013,-0.0891584,-0.0470957,0.1232475,-0.0576332,0.0252577,0.00808
 99,-0.0236529,-0.0315702,-0.1229424,0.091504,-0.0215127,-0.134746,-0.0
 139227,0.1564686,0.1354249,0.0003922,0.0221045,0.1295869,0.1431598,-0.
 0202978,0.1086107,-0.0103166,0.0803734,-0.0008939,0.0469703,-0.0275065
 ,0.0088761,-0.0184206,0.038647,-0.0468765,0.0050138,0.1232118,-0.01186
 3,0.0109636,0.0050954,-0.0718291,0.0765419,-0.0004701,-0.052065,-0.002
 3549,0.1357092,-0.0346522,0.1704175,-0.0301967,0.1028631,-0.021373,0.0
 230906,-0.1209318,0.0385301,0.1120789,0.5069368,-0.281781,0.3006991,-0
 .6759336,1.2172876,0.2756757,0.3692323,0.2824346,1.4277115,-0.5473568,
 0.1215737,-0.2470869,0.3581073,-0.6944143,0.1967109,-0.3088443,-0.0010
 117,-0.8919306,-0.3784081,0.0219246,-0.0077039,0.1383506,-0.7399202,-0
 .546854,0.0430351,-0.4215556,-0.8822807,0.0177298,-0.0087939,0.077332,
 -0.0108896,0.0956333,0.0548853,0.081259,0.0526234,-0.0409007,0.0334542
 ,0.0182171,-0.0620138,0.0367988,0.1008697,0.0406783,-0.0683907,0.03926
 29,0.022403,0.0175331,-0.0255793,0.0793882,-0.0134815,0.0965723,0.0482
 482,0.0749096,0.0537699,-0.0431686,-0.0137252,0.0513995,-0.0798946,0.0
 491341,0.0958508,0.0474737,-0.0818877,0.0477553,-0.0096932,-0.0195019,
 -0.0046004,0.020103,-0.0202486,0.0473691,0.031597,0.0761534,-0.0209345
 ,-0.1295761,-0.0604591,0.0380593,-0.0025161,0.0740606,-0.1144445,0.034
 9864,-0.0264007,0.0744761,0.0291582,-0.0093269,0.0022223,0.0599182,-0.
 0027539,-0.0118496,0.0255261,0.0515767,0.0127461,-0.1401867,-0.1305902
 ,0.0647663,0.0115101,0.0821723,0.0570547,0.0145879,0.0266259,0.0221454
 ,0.0349,0.0492908,-0.0002606,0.0449006,0.0212089,0.0331624,-0.0301657,
 0.0484367,0.0455414,-0.1383506,-0.0117287,-0.1114915,-0.0495075,-0.094
 6722,-0.0889375,-0.0491034,-0.0659199,-0.0857913,0.0128863,0.0124406,0
 .004603,-0.0002526,0.0068814,0.0591064,0.0104386,0.0999131,0.0014662,-
 0.1406842,0.0139246,0.0339291,-0.0048622,0.1039476,-0.1195359,0.076775
 ,-0.0260598,0.0762336,0.0300125,-0.0803791,-0.0584983,-0.0323245,-0.11
 7938,-0.0566881,-0.08403,-0.0684983,-0.0770636,0.0137456,0.0327136,-0.
 011802,-0.0165873,-0.0099017,0.0093467,0.0130867,0.0362522,0.0097814,-
 0.0918553,0.0119962,-0.0013609,-0.0202227,0.0476851,0.0692725,-0.03822
 35,0.0303778,0.0057582,0.0327038,0.3248837,0.0232059,-0.0291983,-0.001
 237,0.2605279,0.0564718,-0.065667,0.0961905,0.2528962,-0.2038938,-0.03
 53832,0.0154039,-0.0185042,0.058517,-0.0206053,0.0141133,-0.0207348,0.
 0550801,0.057986,0.0735084,-0.0231492,0.0399363,-0.107997,0.0036739,-0
 .0129231,0.0272969,0.0509847,0.063608,-0.0276023,0.0479745,-0.0198744,
 0.0518614,0.0536934,0.0148924,-0.002666,-0.0642362\Polar=207.8436051,-
 1.4072102,130.3672579,2.0950767,-7.1891419,140.8074288\Quadrupole=-0.6
 398368,0.999701,-0.3598642,0.8360072,-4.3280614,0.5597832\PG=C01 [X(C1
 3H18O2)]\NImag=0\\0.67926474,-0.03609074,0.20298628,-0.04608774,-0.180
 03474,0.65201874,-0.19277802,0.05115831,-0.11209927,0.63884144,0.02920
 106,-0.09347508,0.06598084,-0.03520956,0.23909340,-0.04899630,0.059678
 79,-0.22300982,-0.00656510,-0.15201154,0.60859287,-0.33229954,0.005443
 08,0.05946922,-0.03897321,0.02715641,-0.06390287,0.69581656,0.02800830
 ,-0.06960573,0.01685922,0.01150287,0.00826509,-0.00641199,-0.06363187,
 0.20806667,-0.00188357,0.02370431,-0.12441695,-0.01993409,-0.01172529,
 0.04399356,0.01675200,-0.18118712,0.63460307,-0.01769486,-0.00941637,0
 .03434025,0.00286871,0.00172402,-0.00746529,-0.15338181,-0.02530111,0.
 09448088,0.61477107,-0.02590108,0.01243500,-0.00620969,0.00137937,-0.0
 1408343,0.02127831,-0.00435618,-0.08939421,0.06015413,-0.04195348,0.23
 352414,0.08052358,-0.01205034,0.01604167,-0.00720341,0.02086288,-0.063
 80588,0.03553173,0.06663616,-0.26406123,-0.00274487,-0.15353387,0.6119
 3673,-0.05645665,0.01271058,-0.02034920,-0.01695562,-0.02536646,0.0800
 1266,0.05989392,0.00752517,-0.03588816,-0.18931182,0.02971037,-0.05097
 768,0.67749535,0.01278663,-0.00998392,0.00317417,-0.01019375,0.0115097
 2,-0.01173412,-0.00785750,0.00263802,0.02611425,0.05311390,-0.09231036
 ,0.06136371,-0.03919922,0.19948928,-0.02151203,0.00324914,-0.01012315,
 0.03432072,-0.00649875,0.01707666,0.00731515,0.02115523,-0.05139403,-0
 .11535107,0.06746828,-0.22484834,-0.04641070,-0.18051378,0.65516896,0.
 06036621,-0.00776171,0.00611095,-0.15563805,-0.00534147,0.03639321,-0.
 04332171,-0.00731632,0.03137062,-0.03991747,0.02824976,-0.06474500,-0.
 33157122,0.00665471,0.06089808,0.69445128,0.00654812,0.00239169,0.0210
 5969,-0.02619987,-0.08982460,0.06634817,-0.00649041,-0.00715458,0.0026
 3304,0.01165069,0.00773385,-0.00588283,0.02781300,-0.06801149,0.017001
 19,-0.06181287,0.20391800,-0.03539995,0.02594846,-0.05085541,0.0968866
 3,0.06006643,-0.26170537,0.03014179,0.00312302,-0.02462298,-0.01843322
 ,-0.01120741,0.04263471,-0.00104977,0.02316998,-0.12452435,0.01365529,
 -0.18098861,0.63080372,-0.02468087,0.00485117,-0.00140197,-0.19734021,
 0.00679102,0.01386764,0.00147574,0.00099755,-0.00093032,-0.00146568,0.
 00046256,-0.00073095,0.00394858,0.00038692,0.00087408,-0.01948672,-0.0
 0045978,0.01052999,0.47981918,0.01099708,0.00514344,-0.00072428,0.0123
 6688,-0.07571487,0.00461945,0.00227078,0.00635389,0.00378323,-0.000272
 82,-0.00117072,0.00043778,-0.00007474,0.00483851,0.00307554,-0.0089869
 5,0.00362178,0.00120238,-0.05016474,0.49730812,-0.02325500,0.00048794,
 0.00672158,0.02112972,0.00491370,-0.09142814,-0.00209337,0.00304090,-0
 .00245200,-0.00072798,0.00016455,-0.00122047,0.00243356,0.00401995,-0.
 00401964,0.03054956,-0.00083347,-0.00010114,-0.02209407,-0.05733847,0.
 56742977,-0.00001018,-0.00076902,0.00193126,-0.02474566,-0.02315122,-0
 .01511872,-0.00105320,0.00123324,0.00070407,0.00006269,0.00005953,-0.0
 0066446,0.00033376,0.00081894,0.00024101,-0.00004971,0.00028784,-0.001
 54475,-0.08712845,-0.02972170,-0.01794159,0.47131116,0.00298331,-0.002
 14554,0.00006535,-0.01071010,0.00390151,0.00426138,-0.00011202,-0.0008
 5156,0.00013111,0.00040242,0.00009097,-0.00006080,-0.00022390,-0.00014
 848,-0.00025724,0.00164669,0.00005907,-0.00125912,-0.01954083,-0.11891
 522,-0.03080502,-0.00826837,0.45877193,0.00052960,-0.00005186,-0.00005
 878,-0.00570701,0.00556172,0.00270017,0.00013566,0.00007947,-0.0002999
 0,0.00057362,-0.00017006,0.00055501,-0.00102475,-0.00026888,-0.0006243
 6,0.00341712,-0.00072732,-0.00081546,-0.01311196,-0.02900655,-0.096874
 75,-0.03486625,-0.01145183,0.57299290,0.00003490,-0.00024247,-0.000230
 18,0.00095495,-0.00141907,0.00020331,-0.00008879,0.00018595,0.00013003
 ,-0.00020390,0.00005677,0.00001898,0.00002940,-0.00001545,0.00000457,-
 0.00020893,0.00012433,0.00025418,0.00523837,-0.01451096,0.00631707,-0.
 08611884,0.02250085,-0.00925612,0.56933529,-0.00028998,-0.00052871,-0.
 00009774,0.00030006,-0.00090748,0.00016137,0.00020303,-0.00024379,-0.0
 0010539,0.00004785,0.00002459,0.00008151,-0.00009340,0.00001872,0.0000
 7745,0.00018964,0.00015450,-0.00028947,0.00275694,-0.03155900,0.006709
 95,0.02565792,-0.15719647,0.03445942,0.02524788,0.48415957,-0.00062237
 ,-0.00060002,0.00039468,0.00083808,-0.00035636,0.00021412,0.00033880,-
 0.00010661,-0.00033127,0.00003523,-0.00005513,0.00020132,-0.00022279,0
 .00005073,0.00009135,0.00005529,0.00032211,-0.00041411,0.00447609,-0.0
 1381341,0.00574092,-0.01053709,0.03624279,-0.09435264,-0.00741417,0.03
 728294,0.54504588,-0.00018221,-0.00017893,0.00020016,-0.00040131,-0.00
 158816,-0.00136294,-0.00006987,0.00011902,-0.00003921,0.00002839,-0.00
 001760,-0.00001372,-0.00005447,0.00009014,0.00008678,-0.00001866,0.000
 09987,-0.00022664,-0.02525361,-0.00368947,-0.00139093,-0.17716791,0.01
 333394,0.01022016,-0.01507120,0.00809859,-0.00109384,0.46367805,-0.000
 69742,0.00008263,0.00053174,-0.00123553,-0.00390405,-0.00310193,-0.000
 21918,0.00043894,0.00007923,-0.00016959,0.00003682,-0.00012639,0.00020
 842,0.00014446,0.00015792,-0.00062939,0.00016954,-0.00013343,-0.027379
 16,0.00052191,0.00152746,0.01309927,-0.07825466,-0.00078258,0.03423111
 ,-0.00805254,-0.00141873,0.01440700,0.57129776,-0.00074612,0.00034052,
 0.00024821,-0.00015149,-0.00245043,-0.00165253,0.00022413,0.00019378,-
 0.00010240,-0.00004847,-0.00012304,0.00022412,-0.00025568,0.00032739,0
 .00012471,-0.00006434,0.00030740,0.00003072,-0.01836123,-0.00022090,0.
 00068340,0.01186304,-0.00085094,-0.08015721,-0.01369333,0.00286548,0.0
 0093886,0.01274904,-0.00107450,0.55908640,0.00334804,-0.00129683,0.001
 21492,-0.00097789,0.00042088,-0.00064053,-0.01926324,-0.00077591,0.009
 33087,-0.17198206,0.01308579,0.00966977,-0.02792372,0.00334089,0.00133
 989,0.00093824,0.00069941,-0.00235084,0.00013568,0.00003456,0.00008518
 ,-0.00003594,-0.00000630,-0.00003272,-0.00003993,0.00000141,0.00001216
 ,-0.00000867,-0.00001511,0.00000456,0.43172626,-0.00045095,0.00524560,
 0.00267818,0.00018049,-0.00109804,0.00011709,-0.00671218,0.00227433,-0
 .00053271,-0.00150396,-0.06970619,0.00797063,0.01257264,0.00355685,-0.
 00156402,0.00153631,0.00595361,0.00440064,-0.00035542,-0.00074011,-0.0
 0030423,-0.00004406,0.00005909,-0.00000196,0.00001198,0.00000800,0.000
 01132,-0.00001184,-0.00000673,-0.00003954,0.00545471,0.45776529,0.0014
 4715,0.00347409,-0.00472047,-0.00050762,0.00009399,-0.00103807,0.02943
 004,-0.00187918,0.00061770,0.02097810,0.00484387,-0.08592298,-0.021076
 40,0.00033844,0.00607876,-0.00188683,0.00355818,-0.00173200,-0.0000438
 3,-0.00038596,-0.00019839,-0.00007665,0.00013867,0.00013215,-0.0000074
 0,0.00001316,-0.00003199,-0.00000609,-0.00008447,-0.00004650,-0.015254
 78,-0.02526197,0.60155474,-0.00060716,-0.00019814,-0.00105561,-0.00019
 632,-0.00007360,0.00052311,0.00035024,-0.00023151,0.00127109,-0.023245
 62,0.03324585,-0.00752867,-0.00354769,-0.00010966,0.00121228,-0.000237
 42,-0.00091494,-0.00136600,-0.00000884,0.00012940,0.00010326,0.0000058
 2,-0.00010296,-0.00006106,-0.00005288,0.00002957,0.00003678,-0.0000062
 1,0.00005505,0.00003081,-0.08685430,0.02198450,0.00313727,0.33254996,-
 0.00025037,-0.00102814,0.00050289,-0.00012955,0.00047228,-0.00006152,-
 0.00390798,0.00036896,0.00017703,0.02308899,0.00189654,-0.00440490,-0.
 00472211,-0.00036719,0.00200070,-0.00106989,-0.00070669,-0.00074107,0.
 00020330,-0.00022188,-0.00036143,-0.00005844,0.00059436,0.00037987,-0.
 00019407,-0.00011134,-0.00011771,-0.00001637,-0.00034683,-0.00010937,0
 .01471039,-0.15996629,0.01686425,-0.13562980,0.62026036,0.00032690,0.0
 0091500,-0.00119863,-0.00017377,-0.00007007,-0.00046339,0.00272017,-0.
 00101130,0.00323397,-0.00413906,-0.00623213,0.00018048,0.00026261,-0.0
 0040083,-0.00102296,-0.00095204,-0.00002904,-0.00017140,-0.00002869,0.
 00016912,0.00001263,0.00002806,0.00000266,-0.00001604,-0.00009800,-0.0
 0000318,0.00002286,-0.00000984,0.00000768,0.00002338,0.00770376,0.0057
 7303,-0.07948315,0.20494145,-0.12148631,0.81485561,0.00017463,0.000152
 66,-0.00016283,-0.00002826,0.00000157,-0.00017877,-0.00067564,0.000684
 80,0.00054685,0.00246677,-0.00292294,0.00161337,0.00032013,0.00011860,
 -0.00020443,-0.00013105,0.00003067,0.00026367,0.00004982,-0.00007436,-
 0.00010609,-0.00002057,0.00008536,0.00006458,0.00003390,-0.00001366,-0
 .00003288,0.00000500,-0.00005274,-0.00002647,0.01073345,0.01206477,-0.
 02355209,-0.15879760,0.09509341,-0.19060969,0.13177575,0.00050931,0.00
 026233,-0.00001472,-0.00000242,-0.00009052,-0.00022787,0.00073811,0.00
 015423,0.00077026,-0.00367673,-0.00303527,0.00263469,0.00222393,-0.000
 01298,-0.00087032,0.00018913,0.00045459,0.00022900,-0.00008718,0.00010
 752,0.00012866,0.00001077,-0.00026707,-0.00014303,0.00006083,0.0000590
 1,0.00005354,0.00000422,0.00014904,0.00004705,0.01693247,-0.00937236,0
 .03518041,0.09126739,-0.20939389,0.19232865,-0.10416233,0.18743019,-0.
 00052887,-0.00074340,0.00078209,0.00022986,0.00006363,0.00029903,-0.00
 037876,0.00016031,-0.00246271,0.00458728,0.00300135,-0.00213997,-0.001
 57931,0.00049104,0.00108641,0.00031006,-0.00034284,-0.00010100,0.00003
 155,-0.00005996,0.00000765,0.00000753,0.00008857,0.00005088,0.00003186
 ,-0.00001741,-0.00003514,0.00000672,-0.00005101,-0.00002596,-0.0173537
 8,0.01533430,-0.01191062,-0.19370156,0.20591615,-0.54950688,0.24339449
 ,-0.21397209,0.66029496,0.00017359,0.00004961,0.00016666,0.00008145,-0
 .00001866,-0.00005239,0.00010840,0.00042349,-0.00079804,0.00025246,-0.
 00069444,0.00092335,0.00038257,0.00011336,0.00018680,0.00017283,0.0000
 6301,0.00022217,0.00002127,-0.00007278,-0.00003728,-0.00001802,-0.0000
 0697,0.00003366,0.00008967,0.00000528,-0.00001549,0.00000841,0.,-0.000
 01420,0.01013765,0.01033678,0.00614473,-0.07184017,0.01130557,-0.01749
 625,0.02192863,-0.00907988,-0.03370669,0.09593542,0.00036438,0.0003276
 8,0.00032765,0.00004189,-0.00010007,-0.00009139,0.00078464,0.00007528,
 -0.00037841,-0.00444673,-0.00280696,-0.00004323,0.00097363,0.00015763,
 -0.00063690,0.00042720,0.00031580,0.00016397,-0.00007784,0.00007767,0.
 00018563,0.00002054,-0.00029246,-0.00018779,0.00012782,0.00005699,0.00
 005131,0.00001228,0.00016615,0.00004835,0.00243377,-0.03141249,-0.0325
 1627,0.00630406,-0.17790074,-0.07915558,-0.00591373,0.03494113,-0.0163
 7790,-0.12937621,0.58984461,-0.00012715,0.00003796,0.00051118,0.000035
 23,-0.00013765,0.00024285,0.00017802,-0.00000676,-0.00108357,-0.001735
 95,-0.00047386,0.00086563,0.00027856,0.00019757,-0.00048315,0.00067648
 ,0.00016466,0.00011259,-0.00002542,-0.00000140,0.00012101,0.00001547,-
 0.00014426,-0.00012566,0.00006363,0.00002220,0.00002446,0.00000646,0.0
 0008185,0.00002456,0.00019839,-0.00533696,0.00033392,-0.02225308,-0.05
 320202,-0.18750257,-0.03122710,-0.02642686,-0.10024503,0.09178180,-0.0
 0246166,0.36282744,-0.10048836,-0.02748755,0.09481806,0.00952830,0.005
 25408,-0.01601289,-0.00858202,-0.00942424,0.02895578,-0.00528556,0.001
 35437,-0.00026049,-0.00095370,0.00027433,-0.00060111,-0.00163506,0.001
 80736,-0.00303498,0.00133465,-0.00031700,-0.00155796,-0.00009769,0.000
 02125,-0.00004394,0.00003948,0.00000489,-0.00011348,-0.00001104,0.0000
 2397,-0.00001851,-0.00016449,-0.00020600,0.00138287,0.00025339,-0.0006
 1363,0.00028709,-0.00006488,0.00024239,-0.00025620,-0.00002881,0.00015
 640,-0.00000310,0.10513591,-0.02750136,-0.05983332,0.07316619,-0.00412
 366,0.00094543,0.00917645,0.00103070,0.00301243,-0.00179569,0.00112195
 ,0.00694900,0.00165306,0.00040520,-0.00038206,-0.00018562,0.00199380,0
 .00461406,0.00302955,-0.00151118,-0.00359289,-0.00069723,-0.00043579,0
 .00059068,-0.00014975,-0.00002891,0.00004798,0.00006021,-0.00000987,-0
 .00017940,-0.00006373,0.00007348,0.00025719,0.00001066,0.00002779,-0.0
 0003631,0.00009377,0.00002844,-0.00002493,-0.00003704,-0.00001661,-0.0
 0002515,-0.00001854,0.02912028,0.05203536,0.09392855,0.07312022,-0.266
 02987,0.01157579,0.00651598,-0.01775146,0.00007896,0.00106305,-0.00044
 834,0.00067626,0.00169157,0.00269055,-0.00076201,-0.00019285,0.0003200
 4,-0.00372440,0.00293168,-0.00133090,0.00154309,-0.00196036,0.00006616
 ,-0.00044922,0.00026635,0.00005099,0.00001558,0.00021665,-0.00002051,-
 0.00004447,-0.00019643,-0.00004872,-0.00017162,0.00011092,-0.00011874,
 -0.00006443,0.00028343,0.00002251,0.00006893,-0.00013619,0.00003737,0.
 00000309,-0.00013190,-0.00006189,-0.10284109,-0.08201524,0.28218570,-0
 .01375834,0.01076908,-0.02496894,-0.00492574,0.00033678,0.00237833,-0.
 15185363,0.05451137,-0.11767336,0.01194266,-0.00419520,0.00932995,-0.0
 0039816,-0.00034174,0.00307283,-0.00055921,-0.00031648,0.00086298,-0.0
 0015163,0.00047664,-0.00114190,-0.00012683,0.00019735,0.00011222,-0.00
 002863,-0.00000621,-0.00003014,-0.00002554,-0.00011542,-0.00006166,0.0
 0011379,-0.00030766,-0.00029560,0.00010795,-0.00000840,0.00173391,-0.0
 0053654,0.00020504,-0.00056665,-0.00016797,-0.00027540,-0.00055391,0.0
 0106260,-0.00058933,0.00014915,0.15960070,0.00008986,0.00259467,0.0008
 4561,0.00074818,0.00675554,0.00176753,0.05449270,-0.07010567,0.0756389
 2,0.00552584,0.00082300,0.00639978,-0.00056251,0.00504607,0.00278621,-
 0.00030268,-0.00040440,-0.00022900,-0.00025070,-0.00000299,0.00014720,
 0.00007487,0.00006568,-0.00001068,-0.00004941,0.00000969,0.00001696,-0
 .00000180,0.00000256,-0.00001818,0.00057642,-0.00286344,-0.00108414,0.
 00027050,0.00118454,-0.00102937,0.00001557,-0.00081930,0.00057983,-0.0
 0009141,-0.00034116,0.00008597,-0.00032901,-0.00339825,-0.00154331,-0.
 05963169,0.06259264,0.00389874,-0.00186562,0.00693647,0.00181756,0.001
 84579,0.00211862,-0.11689253,0.07480483,-0.20975821,-0.01779307,0.0091
 6922,-0.01670793,0.00372551,0.00290805,-0.00298101,0.00087498,-0.00027
 236,-0.00004815,0.00012427,-0.00007233,0.00019349,0.00004983,0.0000528
 0,-0.00000120,-0.00003978,0.00000001,0.00000897,0.00000415,-0.00001394
 ,-0.00001204,-0.00096335,-0.00131414,0.00008816,0.00015438,0.00049156,
 -0.00250968,-0.00059100,-0.00039052,0.00150133,0.00020820,0.00013429,0
 .00058149,-0.00048854,-0.00153924,0.00029245,0.12682682,-0.08393618,0.
 22086374,-0.00094824,0.00027239,-0.00060430,-0.00541594,0.00135462,-0.
 00031221,-0.00154892,0.00180676,-0.00295052,0.00889302,0.00512611,-0.0
 1583135,-0.10045673,-0.02707285,0.09525234,-0.00804734,-0.00927295,0.0
 2904798,0.00012569,-0.00043416,0.00135545,-0.00000273,0.00013345,0.000
 13851,-0.00002220,-0.00000351,-0.00003275,-0.00001357,-0.00008270,-0.0
 0004873,0.00154196,-0.00015307,-0.00187119,-0.00006039,0.00043423,-0.0
 0010374,0.00006638,-0.00020564,0.00015949,-0.00000517,-0.00017957,-0.0
 0006408,0.00003238,-0.00014299,0.00006121,0.00044134,0.00028798,-0.000
 86063,0.10512367,0.00042883,-0.00046052,-0.00020698,0.00121430,0.00702
 659,0.00161176,0.00201212,0.00451394,0.00294273,-0.00482275,0.00082261
 ,0.00894459,-0.02645277,-0.05793311,0.07224375,0.00088557,0.00263259,-
 0.00187897,-0.00002723,0.00020047,-0.00002760,-0.00007568,-0.00002208,
 -0.00000982,-0.00001328,-0.00000853,-0.00000789,0.00002050,-0.00001713
 ,-0.00000455,-0.00084292,-0.00354621,-0.00109886,0.00064348,0.00062263
 ,0.00067700,-0.00008637,-0.00021253,-0.00018409,-0.00016334,-0.0002682
 0,-0.00036595,-0.00013197,-0.00098305,-0.00033787,-0.00023558,0.000297
 12,0.00054989,0.02836444,0.05037762,-0.00067659,-0.00022414,0.00038803
 ,0.00070051,0.00167090,0.00264401,-0.00389919,0.00290642,-0.00140600,0
 .01149678,0.00642881,-0.01778789,0.09424220,0.07238645,-0.26658960,0.0
 0003322,0.00094274,-0.00054111,-0.00023425,0.00014193,-0.00015340,-0.0
 0000340,-0.00007812,-0.00007218,0.00000787,0.00000089,0.00000979,0.000
 00717,0.00004181,0.00001767,0.00176299,-0.00166266,-0.00012749,0.00010
 617,0.00021428,0.00011412,0.00008120,-0.00038320,0.00030897,0.00001354
 ,-0.00002895,0.00008000,0.00005973,-0.00033699,-0.00016658,0.00071565,
 0.00039290,-0.00086087,-0.10318653,-0.08082098,0.28288210,-0.00014828,
 -0.00044336,0.00298774,0.01039743,-0.00402032,0.00920796,-0.00053696,-
 0.00027820,0.00080340,-0.00480443,0.00036076,0.00244652,-0.01428954,0.
 01070754,-0.02556692,-0.14990811,0.05383662,-0.11574983,0.00052980,-0.
 00082932,0.00015329,0.00002832,-0.00013913,0.00017948,0.00003557,0.000
 01198,-0.00000299,-0.00000439,0.00005274,-0.00000354,-0.00055503,0.000
 72346,-0.00105174,-0.00015886,-0.00073523,0.00007175,-0.00001543,0.000
 27459,-0.00017569,0.00001093,0.00023475,0.00013864,0.00046147,-0.00026
 803,0.00058559,0.00001198,-0.00005565,-0.00013551,0.00100643,-0.000550
 63,0.00018802,0.15785058,-0.00078011,0.00520897,0.00286284,0.00655894,
 0.00071840,0.00600851,-0.00026715,-0.00045981,-0.00029844,0.00083093,0
 .00677143,0.00175091,0.00018246,0.00172521,0.00110490,0.05358298,-0.06
 759018,0.07410531,-0.00055568,-0.00248017,-0.00169039,-0.00033881,0.00
 022713,0.00078598,0.00003977,-0.00004501,-0.00014055,-0.00010715,-0.00
 010778,-0.00040389,-0.00017651,0.00009284,0.00021361,0.00001752,0.0000
 9853,0.00012453,-0.00002466,-0.00003613,-0.00008029,-0.00001379,-0.000
 08367,-0.00003503,0.00025794,0.00016467,0.00042028,-0.00007779,-0.0010
 2048,-0.00036592,-0.00032344,-0.00325126,-0.00147397,-0.05896266,0.060
 57368,0.00372133,0.00299119,-0.00312267,-0.01798631,0.00937558,-0.0171
 1257,0.00094320,-0.00023802,-0.00015209,0.00160205,0.00169523,0.002293
 58,0.00381278,-0.00191167,0.00617123,-0.11605387,0.07380303,-0.2070825
 3,-0.00194143,-0.00084216,0.00042650,0.00027072,0.00004896,-0.00025938
 ,-0.00012895,0.00005066,0.00009456,0.00004782,0.00007181,0.00009534,0.
 00021542,-0.00003811,0.00015479,0.00004827,-0.00008654,-0.00001189,-0.
 00005448,0.00004807,-0.00001273,-0.00001838,0.00005497,0.00003694,-0.0
 0092656,0.00051451,-0.00092823,-0.00013539,-0.00036613,-0.00011861,-0.
 00053893,-0.00143769,0.00035361,0.12600176,-0.08276908,0.21858661,0.00
 163404,-0.00122486,0.00172113,-0.00966712,-0.00208681,0.03352137,-0.00
 010750,-0.00006247,-0.00002555,0.00009409,0.00016504,-0.00015018,0.000
 03667,-0.00102390,0.00129184,-0.00617632,0.00132692,-0.00070886,-0.059
 26122,0.00052708,0.05105059,0.00224509,-0.00023963,-0.01551686,0.00018
 131,0.00085178,0.00019973,0.00121341,0.00026247,-0.00106444,-0.0000332
 0,0.00006082,-0.00010752,0.00004407,-0.00017913,0.00006535,-0.00003044
 ,0.00009155,-0.00008521,-0.00001759,0.00006083,0.00001291,-0.00004539,
 0.00052245,-0.00099785,0.00002956,0.00002243,-0.00001112,-0.00048257,-
 0.00005470,0.00006658,0.00008725,0.00019777,0.00008005,0.06919084,0.00
 034201,0.00011431,-0.00040034,-0.00044934,-0.00079394,-0.00087047,-0.0
 0013299,-0.00017138,-0.00014308,0.00009944,-0.00003624,0.00006970,-0.0
 0027902,0.00026220,-0.00000393,-0.00007751,0.00100374,0.00032953,0.000
 39437,-0.04812184,0.01077156,0.00393290,-0.00145633,-0.02653294,0.0006
 8545,0.00177133,-0.00119703,0.00120390,0.00059336,0.00016635,-0.000012
 09,0.00005266,0.00001846,0.00000361,-0.00001434,-0.00000978,-0.0000124
 8,0.00000166,0.00000462,-0.00000428,0.00000500,0.00000616,0.00012183,0
 .00019437,0.00009965,-0.00001890,-0.00003087,-0.00001223,-0.00002818,-
 0.00011563,-0.00002545,0.00005819,-0.00000809,-0.00034456,0.00359158,0
 .05027832,-0.00224084,0.00050682,0.00051362,0.00064522,0.00090400,-0.0
 0415204,0.00055003,0.00014180,0.00029668,-0.00006943,-0.00015005,0.000
 41117,-0.00053402,0.00019930,-0.00025936,0.00117780,-0.00036791,0.0005
 3390,0.05538843,0.01036602,-0.28589380,0.00240224,-0.00122395,-0.01872
 553,0.00023907,0.00119898,0.00091159,0.00088814,0.00050247,0.00038867,
 0.00002173,-0.00009854,0.00007074,-0.00003271,0.00013220,-0.00007073,0
 .00003812,-0.00006885,0.00006450,0.00002187,-0.00003960,-0.00000324,0.
 00029384,-0.00058748,0.00060944,0.00005217,-0.00003148,-0.00002418,0.0
 0010975,-0.00003784,-0.00002558,-0.00017094,-0.00010034,0.00022388,-0.
 05776919,-0.00843021,0.31426211,-0.00412603,0.00008203,0.00237032,-0.0
 1596397,0.02828340,-0.01316398,-0.00065089,-0.00084799,-0.00115672,0.0
 0002839,0.00019633,0.00010656,-0.00025245,-0.00049260,-0.00039137,0.00
 136642,-0.00036129,-0.00178559,-0.07556570,0.07775065,-0.02934602,0.00
 377497,-0.01317868,0.00590550,-0.00158208,-0.00250800,-0.00180518,0.00
 081418,-0.00148160,0.00047350,-0.00000464,0.00004959,-0.00003236,0.000
 05907,-0.00028171,0.00000969,-0.00006016,0.00011359,-0.00004957,-0.000
 01871,0.00013326,0.00007900,0.00007178,0.00044681,0.00018093,-0.000359
 01,-0.00003325,0.00000412,0.00002538,0.00002000,0.00003801,0.00026726,
 0.00011056,0.00095489,0.00233097,-0.00654893,0.00206704,0.08921399,0.0
 0053312,-0.00003929,-0.00041608,-0.00007788,0.00059494,0.00040763,-0.0
 0066010,-0.00015281,0.00033719,-0.00020000,0.00025238,-0.00062059,0.00
 081915,0.00023890,0.00000392,-0.00114725,0.00089731,0.00076804,0.07756
 868,-0.23340363,0.08000653,0.00707770,-0.02528226,0.00960251,-0.003567
 91,-0.00229189,-0.00400783,0.00157732,0.00081438,0.00093403,-0.0000020
 3,-0.00005822,-0.00003955,0.00000155,0.00002558,-0.00002223,0.00001898
 ,-0.00001045,0.00001404,0.00001891,-0.00000468,-0.00000412,-0.00007409
 ,0.00006306,-0.00002293,0.00001936,-0.00002978,-0.00002490,0.00004319,
 -0.00004077,-0.00001329,0.00019205,-0.00025503,-0.00061799,-0.00038513
 ,-0.00044638,0.00080295,-0.08167240,0.25804084,-0.00038680,0.00027085,
 -0.00004356,0.00012638,-0.00399043,0.00125165,0.00002988,-0.00011852,-
 0.00004355,0.00026821,-0.00025113,0.00030276,-0.00086002,-0.00030947,-
 0.00009283,0.00149615,-0.00039303,0.00015005,-0.02906055,0.08099421,-0
 .08267633,0.00410659,-0.01579671,0.00520309,-0.00168752,-0.00171345,-0
 .00105020,0.00060750,0.00005806,0.00041974,-0.00004103,0.00017360,0.00
 011674,-0.00002463,-0.00000276,-0.00000987,-0.00001259,-0.00000372,0.0
 0000981,-0.00000025,-0.00000437,-0.00000019,0.00016125,0.00003813,0.00
 047294,-0.00000215,0.00003585,-0.00000069,-0.00003955,0.00003090,0.000
 01587,0.00001706,0.00043119,0.00006188,-0.01123583,0.02732851,-0.01100
 109,0.03558813,-0.08661393,0.08538411,-0.00035908,0.00021176,-0.000193
 11,0.00125276,0.00039934,-0.00075249,0.00030328,-0.00000591,-0.0001690
 8,0.00006492,-0.00013350,0.00031353,-0.00039860,0.00012867,0.00003211,
 0.00016664,0.00002921,-0.00001385,0.00193869,-0.00119771,-0.01630461,-
 0.06158935,-0.00195893,0.05875048,0.00208586,0.00126468,-0.00959173,-0
 .01222567,-0.00042040,0.03318411,0.00000703,-0.00002696,0.00002321,-0.
 00001425,0.00004672,-0.00002176,0.00001215,-0.00002294,0.00002098,0.00
 001247,-0.00001446,-0.00000572,0.00001166,-0.00002946,0.00010311,0.000
 01172,0.00000692,0.00000288,0.00000323,-0.00002188,-0.00001698,-0.0001
 4060,-0.00037503,0.00003309,-0.00119955,-0.00252456,-0.00195988,0.0004
 3010,0.00051164,0.00068612,0.07279744,-0.00047287,0.00028604,-0.000105
 68,0.00136763,0.00053686,0.00054481,0.00034673,0.00004018,-0.00016528,
 0.00007884,-0.00012377,0.00033861,-0.00032940,0.00001542,0.00014883,0.
 00004752,0.00020475,-0.00041909,0.00375720,-0.00185440,-0.02599785,-0.
 00215675,-0.04751065,0.00838760,-0.00643306,-0.00426184,0.03118720,0.0
 0155366,-0.00004087,-0.00419598,0.00001276,-0.00004180,0.00001306,0.00
 001290,0.00002265,0.00003438,-0.00000087,0.00000293,-0.00001803,-0.000
 00793,-0.00001933,-0.00002361,0.00004501,-0.00012007,0.00003661,-0.000
 00676,-0.00001440,-0.00000806,-0.00002734,0.00000108,-0.00000876,-0.00
 021756,-0.00033432,0.00017935,-0.00252659,-0.00333297,-0.00267984,0.00
 069418,0.00095431,0.00047062,0.00252909,0.05779346,-0.00068984,0.00029
 622,-0.00028511,0.00168830,0.00009217,0.00056018,0.00052188,0.00002098
 ,-0.00012421,-0.00001987,-0.00020889,0.00042922,-0.00052756,0.00015820
 ,0.00021324,-0.00003917,0.00062005,-0.00011077,0.00183303,-0.00180583,
 -0.01786108,0.05811259,0.00864207,-0.27780429,0.00223352,0.00231783,-0
 .01279743,0.00122580,-0.00009289,-0.00217359,0.00001897,-0.00005177,0.
 00001160,-0.00003073,0.00002621,-0.00006884,0.00002276,-0.00002911,0.0
 0005114,0.00001716,0.00001328,0.00002990,0.00003598,-0.00008022,0.0001
 3630,-0.00000891,-0.00001905,-0.00001004,-0.00004703,0.00001392,0.0000
 0434,0.00008631,-0.00037181,0.00032810,-0.00141911,-0.00266522,-0.0001
 1905,0.00005154,-0.00030979,0.00078496,-0.06313865,-0.00901039,0.30450
 071,-0.00050897,-0.00084824,-0.00026278,-0.00017937,-0.00110083,0.0002
 3321,0.00026492,-0.00012259,-0.00017848,0.00002421,-0.00001012,0.00023
 406,-0.00018963,0.00010950,-0.00003159,0.00036893,-0.00012359,-0.00041
 135,-0.00027386,-0.00030295,-0.00010632,-0.00792864,0.00126014,0.00084
 456,-0.30179011,0.03779648,0.02874868,0.00071593,0.00221348,-0.0014582
 2,0.00001721,0.00000247,0.00000693,0.00001317,0.00004223,0.00003630,-0
 .00001595,-0.00001515,-0.00001688,-0.00002510,-0.00003679,-0.00002382,
 -0.00004787,0.00008784,0.00015527,0.00002127,0.00001767,0.00000796,0.0
 0000195,0.00001249,-0.00000198,-0.00000529,0.00001306,0.00002422,-0.00
 000042,0.00003554,-0.00001836,0.00002887,0.00007538,0.00001277,0.00040
 154,0.00008537,-0.00034925,0.32925698,-0.00050842,-0.00016073,-0.00028
 725,-0.00013773,-0.00083425,-0.00019326,-0.00018152,0.00004738,-0.0000
 0370,-0.00007732,-0.00000806,-0.00009444,0.00009207,-0.00000724,0.0000
 1006,-0.00018892,-0.00004936,0.00037425,0.00045713,0.00112959,-0.00038
 284,0.03023168,-0.00327083,-0.00498528,0.03526402,-0.05264164,-0.00376
 148,0.00007511,-0.00565964,0.00255558,0.00000962,-0.00000607,0.0000353
 3,-0.00007153,0.00029813,0.00001836,0.00005045,-0.00013471,0.00003631,
 0.00000314,-0.00015303,-0.00007879,-0.00001598,-0.00004831,-0.00003950
 ,0.00001804,0.00000538,0.00002078,0.00002242,0.00000372,-0.00002385,0.
 00000479,0.00001968,-0.00006268,-0.00004173,-0.00011227,-0.00001619,0.
 00001110,0.00028578,0.00019766,-0.00059582,0.00119853,0.00000744,-0.04
 115929,0.05708254,0.00013739,0.00004828,0.00012579,0.00023891,0.000012
 13,0.00027528,-0.00030566,0.00013394,0.00010775,-0.00002106,0.00004714
 ,-0.00017724,0.00027780,-0.00008949,-0.00006942,-0.00019687,-0.0000778
 1,0.00002768,0.00039511,-0.00046816,0.00018110,-0.01314294,0.00104379,
 0.00031940,0.02868878,-0.00438398,-0.05089755,-0.00026669,0.00231728,-
 0.00063233,-0.00000633,-0.00000659,-0.00001523,0.00001439,0.00008145,0
 .00014129,0.00000961,-0.00000120,-0.00007308,-0.00002970,-0.00008201,-
 0.00008421,0.00002855,-0.00020312,-0.00027912,-0.00002019,-0.00001482,
 -0.00000441,0.00001086,0.00002814,-0.00000358,-0.00000837,0.00004023,-
 0.00004748,0.00006667,0.00005350,-0.00001461,-0.00007717,-0.00005955,-
 0.00009536,-0.00019682,-0.00067788,0.00036728,-0.03040214,0.00288051,0
 .05116443,0.00004755,-0.00004185,0.00034673,-0.00007724,0.00007177,0.0
 0001522,-0.00003375,0.00009459,-0.00004064,0.00000912,0.00002145,-0.00
 006539,0.00015331,0.00001473,-0.00004625,-0.00005858,-0.00007117,-0.00
 009373,0.00012838,-0.00028312,0.00059360,0.00105287,0.00030795,-0.0091
 2130,-0.06072904,-0.00362855,0.05639419,0.00089498,-0.00035880,-0.0012
 0066,0.00000270,-0.00001045,-0.00002440,0.00002579,0.00004736,0.000103
 93,-0.00000206,0.00000474,-0.00005787,-0.00002910,-0.00005310,-0.00005
 346,-0.00004625,-0.00014377,-0.00024967,-0.00001996,0.00000381,0.00000
 893,0.00000447,0.00001078,-0.00000394,0.00000505,0.00000224,-0.0000116
 3,0.00008264,-0.00014830,0.00008077,-0.00008955,-0.00009460,-0.0000947
 8,0.00014754,0.00174374,-0.00083335,-0.00593897,-0.00185619,0.03172443
 ,0.06087930,-0.00001486,-0.00002741,0.00009472,-0.00001824,-0.00001231
 ,-0.00015299,-0.00005581,0.00003557,-0.00001910,-0.00001906,0.00000803
 ,-0.00004020,0.00004946,0.00002863,-0.00006688,0.00007483,-0.00008997,
 0.00013243,-0.00021321,0.00184701,0.00143892,-0.00702517,-0.00349848,0
 .03097849,-0.00344899,-0.04755322,0.01365542,-0.00137568,0.00117766,0.
 00014094,-0.00000405,0.00000238,-0.00000669,-0.00001707,0.00000710,-0.
 00003188,0.00001078,-0.00001313,0.00002032,0.00001343,0.00000780,0.000
 01193,-0.00010855,-0.00004456,-0.00007065,0.00000471,0.00000594,0.0000
 0349,0.00001101,-0.00000258,-0.00000167,0.00000273,0.00006330,-0.00007
 366,0.00004568,-0.00017669,-0.00085736,0.00025734,0.00036429,-0.000351
 35,0.00190363,-0.00529633,0.00234828,0.00040632,-0.00068405,-0.0044696
 9,0.00252838,0.05201079,0.00008283,0.00006446,-0.00035118,-0.00005699,
 0.00011642,0.00003870,0.00000143,-0.00004061,0.00009558,-0.00001921,-0
 .00000073,-0.00001605,-0.00001128,-0.00001464,0.00008498,-0.00012684,0
 .00005788,0.00002608,-0.00018010,-0.00088376,0.00070520,0.00284704,0.0
 0171380,-0.01418160,0.05598874,0.01443741,-0.28604022,0.00058753,-0.00
 066893,0.00048889,0.00000311,-0.00000840,0.00002543,-0.00003647,0.0000
 3567,-0.00009017,0.00002211,-0.00003792,0.00006305,0.00002560,0.000010
 69,0.00003131,-0.00000951,-0.00000563,0.00016850,0.00001927,-0.0000033
 4,-0.00000164,-0.00000338,-0.00000670,-0.00000220,-0.00000367,-0.00006
 489,0.00005135,0.00037076,0.00066929,0.00065163,-0.00010864,0.00000937
 ,0.00030847,-0.00108831,0.00261226,0.00063036,0.00079800,-0.00027974,-
 0.00274002,-0.06180628,-0.01880294,0.31415527,-0.00010091,-0.00025315,
 0.00008886,-0.00011031,-0.00022366,-0.00008640,0.00022682,-0.00010159,
 -0.00010021,0.00008269,-0.00002336,0.00014258,-0.00019181,0.00005461,0
 .00000765,0.00023996,0.00002115,-0.00028207,-0.00049865,0.00190707,-0.
 00045949,0.00318311,0.00715373,0.00536521,-0.10818968,-0.09241284,-0.0
 6152319,0.00089334,0.00070546,0.00054244,-0.00000047,0.00001413,-0.000
 00871,0.00004044,-0.00017321,-0.00006244,-0.00003307,0.00006885,0.0000
 1051,-0.00000278,0.00010539,0.00007497,-0.00001799,0.00008334,0.000142
 59,-0.00000046,0.00001201,-0.00000279,-0.00001736,-0.00001023,0.000013
 43,0.00000970,-0.00000661,0.00003474,-0.00008820,-0.00007180,-0.000135
 16,0.00040571,0.00044984,0.00004636,0.00014739,-0.00061519,0.00018551,
 -0.01418247,-0.02327621,-0.01622637,0.00351260,0.00662917,0.00365795,0
 .11458369,-0.00001737,0.00012329,0.00012126,0.00119014,0.00022247,-0.0
 0008229,-0.00010523,0.00003636,0.00003595,-0.00004143,0.00003438,-0.00
 008351,0.00010465,0.00000528,0.00003120,-0.00025993,0.00007832,0.00012
 077,0.00265158,-0.00449063,0.00364770,-0.01457186,-0.02207280,-0.01558
 335,-0.09099350,-0.18304745,-0.09157696,-0.00146345,0.00099966,-0.0008
 4707,-0.00000919,0.00000373,-0.00003668,0.00003550,-0.00016593,-0.0000
 1837,-0.00002988,0.00006933,-0.00001443,-0.00000659,0.00008438,0.00005
 234,0.00003717,-0.00003816,-0.00004998,-0.00002858,0.00000013,-0.00000
 676,-0.00003136,-0.00000978,0.00001809,0.00002530,-0.00002819,-0.00004
 185,0.00017578,0.00037042,0.00007505,-0.00099040,-0.00163077,-0.000747
 47,-0.00039060,0.00109401,0.00036717,0.00173661,0.00380920,0.00318775,
 0.00184387,0.00166863,0.00080172,0.10007090,0.20219253,-0.00003838,-0.
 00003406,-0.00028358,-0.00028171,0.00002229,0.00000618,0.00006898,-0.0
 0004098,0.00004776,0.00001466,0.00000564,0.00005414,-0.00006159,-0.000
 00941,0.00000581,-0.00000009,0.00001929,0.00002526,-0.00066336,0.00207
 906,-0.00049566,0.00649954,0.00987729,0.00565411,-0.06131366,-0.092885
 95,-0.10886270,0.00035395,-0.00013700,0.00014422,-0.00000027,0.0000037
 5,0.00000764,0.00001974,-0.00005238,-0.00000625,-0.00001886,0.00002525
 ,-0.00000419,-0.00000860,0.00002546,0.00001595,0.00004207,0.00004247,0
 .00015935,0.00000973,-0.00000290,-0.00000814,-0.00000183,-0.00000382,0
 .00000401,-0.00000412,0.00000764,0.00000843,-0.00002230,0.00031277,0.0
 0039953,0.00014309,0.00053234,0.00058074,0.00049785,-0.00055925,0.0007
 2281,0.00187251,0.00385738,0.00153428,-0.01601423,-0.02282828,-0.01482
 917,0.06865535,0.09992315,0.11501139,0.00010552,-0.00006845,0.00005561
 ,0.00000301,0.00024667,-0.00036641,-0.00010139,0.00001062,0.00003858,-
 0.00001314,0.00004907,-0.00009785,0.00014343,-0.00004931,-0.00008909,0
 .00003992,-0.00016674,0.00005003,0.00173184,0.00072476,0.00154222,-0.0
 1120925,-0.00079947,0.03370235,0.00163621,-0.00123624,0.00092223,-0.06
 521183,-0.00155948,0.06584580,-0.00000208,0.00001144,-0.00000711,0.000
 00877,-0.00001256,0.00001996,-0.00000641,0.00000973,-0.00001552,-0.000
 00578,-0.00000093,-0.00000617,-0.00001881,0.00000955,-0.00002764,0.000
 00205,0.00000536,0.00000180,0.00001900,0.00000363,0.00000043,0.0000003
 3,0.00013158,-0.00006292,-0.00013626,-0.00030627,-0.00093697,-0.000053
 08,-0.00008921,-0.00010778,-0.00652558,0.00092916,0.00015908,0.0002171
 1,-0.00028287,-0.00035875,0.00005443,0.00048597,-0.00083733,-0.0000470
 8,0.00009295,-0.00012014,0.07333548,0.00002760,-0.00002649,-0.00002718
 ,-0.00006742,-0.00011244,-0.00008343,0.00000511,-0.00000645,0.00000359
 ,-0.00000019,-0.00000087,-0.00000490,0.00000356,0.00001197,-0.00000951
 ,0.00003764,-0.00001804,0.00001199,-0.00021958,0.00010690,0.00074504,0
 .00111927,-0.00089761,-0.00429682,-0.00008588,0.00038659,-0.00118640,-
 0.00167214,-0.04766245,0.00585304,0.00000197,-0.00000107,0.00000394,-0
 .00000602,0.00003025,0.00000081,0.00000355,-0.00001486,0.00000429,-0.0
 0000029,-0.00001496,-0.00000695,-0.00000739,0.00001600,0.00000521,0.00
 000558,0.00000463,0.00000250,0.00000776,0.00000330,-0.00000149,0.00000
 871,-0.00000516,-0.00000129,-0.00018186,0.00025229,-0.00005003,0.00002
 201,-0.00004403,0.00016582,0.00095401,0.00051304,-0.00012306,-0.000158
 23,-0.00001197,0.00017757,0.00018161,0.00012007,0.00026709,0.00002239,
 -0.00003809,-0.00009854,0.00104268,0.04643100,0.00010078,-0.00001340,-
 0.00005212,-0.00007741,0.00001190,0.00041367,-0.00000364,-0.00002142,0
 .00002002,-0.00000107,-0.00000062,-0.00001463,-0.00000351,-0.00003806,
 0.00006176,-0.00016885,0.00003224,-0.00007908,-0.00055007,-0.00003609,
 0.00062893,0.00183493,0.00004547,-0.00412558,-0.00053195,0.00010320,0.
 00075340,0.06677562,0.00569012,-0.28260866,0.00000124,-0.00000314,0.00
 001350,-0.00002527,0.00004413,-0.00003739,0.00002116,-0.00002744,0.000
 03099,0.00001437,-0.00000849,0.00000586,0.00000696,0.00000238,0.000016
 10,0.00000853,-0.00000503,0.00000150,-0.00000783,0.00000488,-0.0000026
 7,-0.00001769,-0.00003705,0.00002679,0.00042337,0.00046936,0.00051123,
 0.00004469,-0.00003019,-0.00011459,0.00060652,-0.00013969,0.00164376,0
 .00001530,-0.00009098,0.00032819,0.00029523,-0.00060124,0.00038113,0.0
 0003701,0.00003364,-0.00008594,-0.07531310,-0.00619810,0.30848305,0.00
 016212,0.00002264,-0.00009815,0.00022645,-0.00019709,0.00045603,0.0000
 7932,-0.00003294,0.00004351,0.00002072,-0.00001361,0.00001977,-0.00001
 881,0.00000202,0.00001945,0.00002830,0.00001843,-0.00006705,0.00128909
 ,0.00172539,-0.00019056,-0.00859214,0.02935255,-0.01425749,-0.00683311
 ,-0.00070614,0.00124131,-0.06545874,0.05975759,-0.02663224,0.00001130,
 -0.00000734,0.00000814,-0.00000198,0.00006604,0.00001170,0.00000084,-0
 .00002912,0.00000353,-0.00001194,-0.00003669,-0.00001629,-0.00000260,0
 .00001860,0.00003960,0.00002433,0.00000258,0.00000283,0.00000517,0.000
 00474,-0.00000320,-0.00002624,-0.00000552,0.00003401,-0.00002569,-0.00
 012615,0.00001495,-0.00016700,-0.00105587,-0.00001207,0.00135154,-0.00
 026650,0.00042294,-0.00059275,0.00202416,-0.00076289,0.00005567,-0.000
 24664,-0.00013542,0.00015256,-0.00004326,0.00026882,0.00181051,-0.0084
 0130,0.00270071,0.07234038,-0.00007333,0.00005223,0.00002835,0.0000802
 7,0.00033116,-0.00020686,-0.00003857,0.00000882,-0.00004540,0.00000192
 ,-0.00000409,-0.00000937,-0.00000310,0.00000399,-0.00000816,0.00007219
 ,-0.00001379,0.00009755,-0.00088907,0.00059006,-0.00017346,0.00036238,
 -0.00452985,0.00102496,0.00185991,0.00090206,-0.00093858,0.06140588,-0
 .24773409,0.08877308,-0.00000701,-0.00000258,0.00000943,-0.00001572,0.
 00001591,-0.00001031,0.00001812,-0.00000494,0.00000773,0.00001943,-0.0
 0000144,-0.00000656,-0.00000440,-0.00001612,-0.00002852,-0.00000735,-0
 .00000668,0.00000088,0.00001122,-0.00000102,-0.00000708,0.00001025,-0.
 00000502,-0.00001965,0.00000493,-0.00003954,-0.00004812,0.00005887,0.0
 0064175,0.00015906,0.00027537,0.00015835,-0.00045918,0.00009823,-0.000
 31745,0.00039523,-0.00018289,0.00009790,-0.00000343,-0.00017578,0.0004
 5189,0.00005027,-0.00065374,0.00010382,0.00009581,-0.06835162,0.269269
 20,0.00006192,-0.00001424,-0.00004758,-0.00003011,-0.00027443,0.000013
 48,0.00000661,0.00001264,0.00002058,0.00000272,-0.00000064,-0.00000168
 ,0.00000283,-0.00000111,-0.00001247,0.00001861,-0.00002095,0.00001475,
 -0.00001330,0.00048537,-0.00019140,0.00123190,-0.00361791,0.00016183,0
 .00020541,-0.00026987,0.00051758,-0.02746463,0.08863982,-0.08671326,0.
 00000261,0.00000063,0.00000267,0.00000060,0.00001899,0.00001039,-0.000
 00251,-0.00000754,-0.00000368,-0.00000450,-0.00001341,-0.00000888,0.00
 000225,0.00000216,0.00000495,0.00000749,0.00000513,0.00000095,0.000005
 38,0.00000328,0.00000038,0.00000157,0.00002584,-0.00000173,-0.00003876
 ,0.00012116,-0.00002822,-0.00029951,-0.00033179,0.00018163,-0.00042797
 ,-0.00040728,0.00042710,0.00016103,0.00007381,0.00053845,0.00021263,-0
 .00032890,0.00043659,0.00009099,0.00032067,-0.00002212,-0.00861904,0.0
 2801683,-0.01146181,0.02953279,-0.09809579,0.08954504,-0.00040279,0.00
 002804,0.00022201,0.00014629,-0.00156504,-0.00125603,-0.00003395,0.000
 18171,0.00000895,-0.00005783,-0.00000284,0.00000268,0.00001660,0.00011
 076,0.00005528,-0.00024429,0.00008826,-0.00003953,-0.00653002,0.002175
 13,0.00168265,-0.01607762,-0.02426732,-0.01709912,0.00133936,-0.001540
 60,-0.00024053,-0.10705604,-0.09050262,-0.06103027,-0.00000801,-0.0000
 0498,-0.00005067,0.00004584,-0.00021233,-0.00000561,-0.00004077,0.0000
 9056,-0.00002642,-0.00001118,0.00010383,0.00005941,0.00001412,-0.00007
 408,-0.00006708,-0.00005252,0.00000452,-0.00000667,-0.00004599,-0.0000
 0821,0.00002476,0.00003255,-0.00008250,0.00000333,0.00012765,0.0002489
 4,-0.00011662,0.00017651,0.00015136,0.00034119,0.00130075,-0.00014159,
 0.00050720,0.00031859,0.00005307,0.00040892,-0.00004491,0.00012737,0.0
 0002292,0.00003683,0.00105271,0.00010709,0.00422219,0.00735102,0.00381
 100,0.00415638,0.00612670,0.00534742,0.11872146,-0.00012138,-0.0000197
 8,0.00009410,0.00029578,0.00046728,-0.00031807,-0.00007644,-0.00001268
 ,-0.00002608,0.00001701,0.00001990,-0.00004389,0.00002702,-0.00003592,
 0.00001363,-0.00007065,0.00000848,0.00000391,0.00046258,0.00034958,0.0
 0065037,0.00260562,0.00224145,0.00311207,0.00060892,0.00086289,0.00034
 654,-0.09186982,-0.18463025,-0.09215906,-0.00000445,0.00000856,-0.0000
 1033,0.00002161,-0.00007041,-0.00001368,-0.00002014,0.00002941,-0.0000
 0299,-0.00001005,0.00003500,0.00002612,0.00001245,-0.00000454,0.000016
 93,-0.00001827,0.00000642,0.00000291,-0.00001614,-0.00000579,0.0000077
 7,0.00001771,0.00001062,-0.00002034,0.00010131,-0.00004618,-0.00004409
 ,0.00015534,0.00052753,-0.00006359,-0.00054553,0.00012587,0.00029886,-
 0.00012667,0.00020294,0.00008088,-0.00000746,-0.00004553,0.00002822,0.
 00006279,0.00028417,-0.00012551,0.00147274,0.00087262,0.00071903,-0.01
 348008,-0.01994551,-0.01434518,0.10051102,0.19876815,0.00007875,-0.000
 00528,-0.00001101,0.00026677,-0.00013822,0.00051356,-0.00002439,-0.000
 01434,0.00001287,0.00001287,0.00000346,-0.00001164,-0.00000513,-0.0000
 1152,0.00004038,-0.00016164,0.00002428,-0.00001366,0.00032946,0.000388
 55,0.00052944,0.00218560,0.00295293,0.00071222,-0.00001243,-0.00023985
 ,-0.00014428,-0.06184998,-0.09185039,-0.10877433,-0.00000499,0.0000033
 0,-0.00000567,0.00001403,-0.00004474,0.00000186,-0.00001116,0.00002205
 ,-0.00000849,-0.00000410,0.00002030,0.00000965,0.00001689,-0.00000698,
 0.00000117,-0.00000123,0.00000170,-0.00000085,-0.00001444,0.00000145,0
 .00000518,0.00000153,0.00001031,-0.00000789,0.00027867,0.00022070,0.00
 048675,0.00012483,-0.00029211,-0.00008982,-0.00036619,0.00046284,0.000
 52171,0.00011376,0.00024481,0.00000936,-0.00006752,-0.00011700,-0.0000
 8001,-0.00020270,0.00034523,0.00021751,-0.01537552,-0.02316849,-0.0147
 3215,0.00735839,0.00941985,0.00661726,0.06732432,0.10176987,0.11420009
 ,0.00024824,-0.00062865,0.00148800,0.00011342,0.00012069,-0.00028376,-
 0.00616080,0.00116338,-0.00093172,-0.01103987,-0.00826697,0.03279689,0
 .00148412,-0.00100905,0.00207733,-0.00020700,0.00000440,0.00000740,-0.
 00002235,0.00003002,-0.00010428,-0.00001562,0.00001261,0.00003389,-0.0
 0000175,-0.00000492,-0.00000217,-0.00000122,-0.00000995,-0.00000661,-0
 .05297951,-0.01032531,0.04412986,0.00148856,0.00334536,-0.01213174,-0.
 00131073,0.00307099,-0.00035307,-0.00018052,-0.00043653,0.00008836,-0.
 00047073,-0.00001598,0.00006141,0.00018188,0.00003852,-0.00006428,-0.0
 0017966,0.00050540,-0.00112418,0.00006707,0.00001208,-0.00000644,0.000
 02961,0.00000315,-0.00002189,-0.00003155,0.00000334,-0.00000553,-0.000
 00084,-0.00000037,-0.00000990,0.00000116,0.00000619,0.00000913,0.00000
 669,0.00000295,-0.00000609,-0.00000498,-0.00000300,-0.00000337,0.00000
 168,0.00000016,-0.00000131,-0.00000108,0.00000268,0.00000043,-0.000005
 06,-0.00000150,0.00000047,0.06678919,0.00010705,0.00022646,0.00004495,
 0.00003480,0.00009032,-0.00007685,0.00027768,0.00094468,0.00018578,-0.
 00023673,0.00046575,-0.00172304,0.00073407,0.00010214,-0.00047126,-0.0
 0016410,-0.00013948,-0.00009076,0.00000515,0.00001077,0.00000135,0.000
 00031,0.00000493,0.00000283,-0.00000117,-0.00000082,-0.00000259,0.0000
 0007,-0.00000222,-0.00000062,-0.01075087,-0.06353235,0.05250785,-0.008
 78348,-0.00449366,0.03385410,0.00520527,-0.00672909,0.00078969,0.00109
 241,-0.00058020,-0.00182128,-0.00000093,-0.00012274,-0.00004161,0.0000
 5786,-0.00018603,-0.00013778,0.00003551,0.00027789,0.00004546,-0.00002
 344,-0.00005582,-0.00001499,-0.00000465,-0.00000032,0.00000417,-0.0000
 0091,0.00000084,0.00000125,0.00000095,0.00000258,0.00000061,0.00000132
 ,0.00000349,0.00000537,0.00000288,-0.00000094,-0.00000147,-0.00000376,
 -0.00000261,-0.00000079,-0.00000018,-0.00000004,0.00000047,0.00000062,
 0.00000042,-0.00000003,-0.00000251,-0.00000167,-0.00000016,0.01063342,
 0.06977613,-0.00037577,0.00017397,-0.00032712,-0.00011356,-0.00009716,
 0.00028819,0.00091405,-0.00012537,0.00086871,0.00243718,0.00162046,-0.
 00574072,-0.00304258,0.00022252,0.00066336,0.00036928,-0.00011763,0.00
 021302,-0.00000818,-0.00000798,0.00007554,0.00000895,-0.00001531,-0.00
 001915,0.00000129,0.00000299,0.00000239,0.00000040,0.00001133,0.000004
 13,0.04721064,0.05653287,-0.28564091,-0.00015920,0.00124111,-0.0092668
 0,0.00032322,0.00167912,0.00144348,0.00049700,-0.00214789,0.00144860,0
 .00010716,-0.00004458,-0.00001954,-0.00014452,-0.00007294,0.00009669,0
 .00023725,-0.00023370,0.00078475,0.00001894,-0.00001546,-0.00001874,-0
 .00002005,0.00000155,-0.00000357,0.00002246,-0.00000242,-0.00000257,-0
 .00000111,-0.00000117,0.00000269,-0.00000025,-0.00000857,-0.00000645,-
 0.00000430,-0.00000080,0.00000223,0.00000649,0.00000548,0.00000271,-0.
 00000031,-0.00000076,-0.00000039,-0.00000033,-0.00000306,-0.00000047,0
 .00000727,0.00000344,0.00000085,-0.04776464,-0.05840297,0.31199420,0.0
 0047220,0.00095171,-0.00013313,-0.00006779,0.00010599,-0.00051582,0.00
 005655,-0.00036734,-0.00109802,-0.02597555,-0.02190479,-0.02035271,-0.
 00094816,-0.00129581,0.00189997,-0.00085648,0.00150778,0.00056986,-0.0
 0007657,-0.00012408,-0.00013331,-0.00001413,0.00010552,0.00008801,-0.0
 0001048,-0.00000846,-0.00002054,-0.00000285,-0.00005794,-0.00003011,-0
 .09484128,-0.03287952,-0.03003796,0.00768286,0.00090786,0.00712081,-0.
 00097681,0.00207970,-0.00057487,-0.00132474,0.00451144,0.00057047,0.00
 004510,-0.00007965,0.00001580,-0.00024473,-0.00026089,0.00003333,-0.00
 006278,-0.00047527,-0.00045822,-0.00019258,0.00011045,0.00002128,-0.00
 004341,0.00001437,0.00001632,-0.00006826,-0.00001944,0.00006731,0.0000
 0923,-0.00000203,-0.00000309,0.00000390,0.00004147,0.00000247,-0.00000
 519,0.00000123,0.00000966,-0.00001752,-0.00002570,-0.00000378,-0.00000
 203,0.00000320,0.00000887,0.00000479,0.00000709,0.00000130,-0.00003506
 ,-0.00000822,-0.00000480,0.00261401,0.00334612,0.00200302,0.54810268,0
 .00012375,-0.00000112,-0.00001334,0.00018631,0.00003650,-0.00022961,0.
 00076341,0.00039187,-0.00044753,-0.00720982,0.00154277,0.00150892,0.00
 215819,-0.00102960,0.00020556,-0.00018580,-0.00050432,-0.00000728,-0.0
 0003327,0.00010039,0.00006791,0.00003184,-0.00005959,-0.00004944,0.000
 00052,0.00000386,0.00001305,0.00000145,0.00004171,0.00001909,-0.029907
 01,-0.11652715,-0.03567957,-0.01519092,-0.03171265,-0.01891476,-0.0004
 8825,0.00176575,-0.00360752,0.00166556,-0.00518599,0.00015155,0.000062
 59,-0.00001175,-0.00003925,-0.00009905,-0.00000907,0.00005244,0.000010
 04,0.00037768,0.00000761,0.00011239,0.00005058,0.00005612,0.00002249,0
 .00000545,-0.00001757,0.00005821,-0.00001217,0.00000173,-0.00000628,0.
 00000027,-0.00000153,0.00000324,-0.00003042,-0.00000587,-0.00000165,-0
 .00000242,-0.00000656,0.00001604,0.00001481,0.00000607,0.00000178,-0.0
 0000166,-0.00000732,-0.00000077,-0.00000863,0.00000146,0.00002499,0.00
 000592,0.00000382,0.00348655,0.00461834,0.00244572,-0.03982735,0.52841
 423,-0.00085208,0.00002965,-0.00018479,0.00034233,-0.00012364,0.000562
 45,0.00237539,-0.00017043,-0.00047417,-0.00467406,0.00359947,0.0045312
 6,0.00048306,-0.00003110,-0.00037029,0.00038508,-0.00000496,-0.0002695
 0,-0.00002059,-0.00000146,0.00007879,0.00002964,-0.00005543,-0.0000738
 4,0.00000208,-0.00000165,0.00001810,0.00000191,0.00003904,0.00002196,-
 0.02656394,-0.03600945,-0.11882929,0.00609718,-0.00546155,0.00435735,-
 0.00057252,0.00159764,-0.00194320,-0.00137403,0.00233872,0.00107291,0.
 00004004,-0.00007227,-0.00005798,0.00026776,0.00043553,-0.00018629,0.0
 0009035,-0.00021518,0.00015227,0.00010171,-0.00002051,-0.00000764,0.00
 004286,-0.00001275,-0.00001899,0.00006877,-0.00000173,-0.00003362,-0.0
 0000979,-0.00000170,-0.00000007,-0.00000353,-0.00001997,0.00000472,0.0
 0000942,-0.00000062,-0.00001067,0.00000541,0.00001688,-0.00000128,0.00
 000282,-0.00000179,-0.00000658,-0.00000259,-0.00000601,-0.00000142,0.0
 0002282,0.00000516,0.00000231,-0.01654762,-0.02327844,-0.01790259,-0.0
 3290879,-0.04687009,0.53550513,-0.00013946,-0.00000565,0.00002604,-0.0
 0003021,-0.00003949,0.00008103,0.00007959,-0.00009392,-0.00003313,0.00
 049835,-0.00106285,-0.00011656,-0.00001423,-0.00005145,-0.00014553,0.0
 0008942,0.00004551,-0.00003349,-0.00000275,0.00001643,0.00002640,0.000
 01507,0.00002697,-0.00002679,-0.00006546,-0.00001650,0.00001079,-0.000
 00660,-0.00001258,0.00000969,0.00542266,0.00036697,-0.00032750,0.00537
 457,-0.00136012,0.00338500,-0.00606748,-0.00051730,-0.00060455,-0.0562
 7985,0.12560505,-0.03798479,-0.00000282,0.00001996,0.00000815,0.000040
 80,0.00005884,0.00002294,0.00000105,-0.00002660,0.00003466,0.00001157,
 0.00001954,0.00000859,0.00000327,0.00000466,-0.00001094,0.00001192,-0.
 00001770,0.00000537,-0.00000598,0.00000170,-0.00000642,0.00002547,0.00
 001931,0.00001036,0.00001460,-0.00000845,-0.00001262,-0.00000736,0.000
 00007,0.00000388,0.00000239,0.00000205,-0.00000831,0.00001262,-0.00001
 638,0.00000437,0.00000133,0.00000646,0.00000098,-0.00012001,-0.0000761
 9,-0.00049828,-0.00037136,0.00048279,-0.00036170,0.05144881,-0.0000226
 3,0.00001797,-0.00009318,0.00002155,-0.00002014,0.00000545,0.00006214,
 0.00013410,0.00005488,0.00007683,-0.00011640,0.00017013,0.00010215,0.0
 0004795,0.00009959,-0.00000999,-0.00000776,0.00001936,0.00001927,-0.00
 002032,-0.00003244,-0.00000162,0.00005122,0.00002019,-0.00000336,-0.00
 001553,-0.00000555,-0.00000051,-0.00002704,-0.00000634,-0.00135234,0.0
 0052282,-0.00476773,0.01106539,-0.04177539,-0.00069441,-0.00066790,0.0
 0565791,0.00789799,0.11378678,-0.40577147,0.08889183,-0.00001356,0.000
 00442,0.00002357,0.00007376,-0.00003129,-0.00010969,0.00000724,-0.0000
 2464,-0.00000313,-0.00001381,0.00001261,-0.00001269,-0.00001044,-0.000
 00201,0.00000976,-0.00002275,-0.00000012,-0.00000214,0.00000442,0.0000
 0036,0.00000477,0.00000799,0.00003638,0.00000851,0.00000366,0.00000147
 ,0.00000339,-0.00002726,-0.00001558,-0.00000979,-0.00000138,0.00000329
 ,0.00000411,0.00000590,0.00000029,0.00000192,-0.00001964,-0.00000764,-
 0.00000560,-0.00024975,0.00085441,-0.00001003,0.00088824,-0.00063034,0
 .00018712,-0.12343090,0.44142652,0.00001577,0.00002256,-0.00005078,0.0
 0002443,-0.00000359,-0.00001737,0.00001116,0.00007605,0.00009042,-0.00
 019706,0.00018924,-0.00006728,0.00001712,0.00000776,0.00004836,-0.0000
 4773,-0.00002122,0.00000047,0.00001331,-0.00001334,-0.00002170,-0.0000
 0737,0.00002253,0.00003038,0.00000949,0.00000147,-0.00000837,0.0000010
 3,-0.00001219,-0.00000747,-0.00211313,-0.00236911,-0.00419452,0.013597
 49,-0.04476246,0.01358088,-0.00019794,0.00712661,-0.00113600,-0.047623
 53,0.13245910,-0.07934304,0.00000376,-0.00000453,0.00000839,0.00003064
 ,-0.00006671,-0.00009398,0.00002632,-0.00000982,0.00001683,-0.00002229
 ,0.00001097,-0.00001115,-0.00000568,-0.00000441,0.00000374,-0.00001754
 ,0.00000591,-0.00000328,0.00000325,0.00000661,-0.00000548,-0.00000005,
 0.00001555,0.00002120,0.00001024,-0.00000290,-0.00000606,-0.00002124,-
 0.00001298,-0.00000504,0.00000079,0.00000060,0.00000058,-0.00000020,0.
 00000605,0.00000066,-0.00001447,-0.00000837,-0.00000259,-0.00010917,0.
 00004262,0.00030116,0.00047172,-0.00123513,0.00064124,0.03632664,-0.09
 126167,0.07050776,0.00002074,0.00010397,-0.00009013,0.00002478,0.00005
 059,-0.00013789,0.00011728,0.00002106,-0.00049293,-0.00058981,-0.00219
 222,-0.00233909,-0.00000810,-0.00051884,0.00046959,-0.00026768,0.00020
 218,0.00021893,-0.00000229,-0.00006293,-0.00008521,-0.00001279,0.00007
 605,0.00006831,-0.00000148,-0.00000944,-0.00002073,0.00000013,-0.00004
 518,-0.00002089,-0.01360851,0.00031690,0.00303726,-0.00066614,0.001182
 35,-0.00101258,0.00092000,-0.00023733,0.00077638,0.00013321,-0.0002615
 5,0.00011828,-0.00002940,0.00000527,0.00003637,0.00001005,0.00004752,0
 .00003049,-0.00000752,-0.00004730,-0.00007571,-0.00006094,0.00004264,-
 0.00000264,-0.00002465,-0.00000037,0.00002036,-0.00004678,0.00000463,0
 .00001320,0.00000831,0.00000005,0.00000375,-0.00000369,0.00003516,0.00
 000623,0.00000029,0.00000371,0.00000941,-0.00001947,-0.00002187,-0.000
 00760,-0.00000243,0.00000293,0.00000932,0.00000331,0.00000928,0.000000
 36,-0.00002962,-0.00001076,-0.00000578,0.00042802,0.00028179,-0.000403
 71,-0.30016358,0.00751055,0.04846045,-0.00006403,-0.00008008,-0.000027
 93,0.32712352,0.00020714,0.00005174,0.00006540,-0.00008031,0.00004946,
 -0.00022482,-0.00038148,0.00017198,0.00003893,-0.00107560,-0.00218532,
 -0.00301817,-0.00053727,-0.00011180,0.00029640,-0.00028162,0.00028128,
 0.00008982,-0.00000326,-0.00002409,-0.00003720,-0.00000909,0.00003047,
 0.00002597,-0.00000241,-0.00000299,-0.00000612,-0.00000068,-0.00001888
 ,-0.00000831,-0.02181574,-0.00096562,0.00476891,-0.00166570,0.00103093
 ,-0.00037248,0.00081429,-0.00007769,0.00045482,0.00017056,0.00017965,0
 .00016908,-0.00002921,-0.00002427,0.00001533,0.00008603,0.00001696,0.0
 0002520,0.00001518,-0.00011653,-0.00009712,-0.00007002,0.00004471,0.00
 001307,-0.00001497,-0.00000047,0.00001026,-0.00002713,-0.00000311,0.00
 001032,0.00000431,0.00000119,0.00000250,0.00000093,0.00001431,0.000000
 61,-0.00000118,0.00000066,0.00000379,-0.00000650,-0.00000795,-0.000002
 12,-0.00000137,0.00000088,0.00000353,0.00000169,0.00000237,0.00000004,
 -0.00001136,-0.00000283,-0.00000183,0.00066201,0.00079155,0.00029064,0
 .00963377,-0.04865069,-0.00170870,-0.00007016,-0.00002266,-0.00001413,
 -0.00713775,0.04916048,-0.00022559,0.00036612,0.00015377,-0.00003612,-
 0.00009092,0.00017287,-0.00012517,0.00021856,-0.00005543,-0.00053196,-
 0.00311816,-0.00194308,-0.00062333,0.00008664,0.00018689,0.00016939,0.
 00026449,0.00002184,-0.00000876,-0.00008436,-0.00004268,-0.00001871,0.
 00003091,0.00003037,-0.00000162,0.00000172,-0.00000678,-0.00000139,-0.
 00001895,-0.00001194,-0.02113087,-0.00007827,0.00283086,0.00014923,0.0
 0056088,0.00093379,-0.00036513,-0.00006678,-0.00003499,0.00008686,0.00
 009990,-0.00033092,-0.00003612,0.00001074,0.00001745,-0.00008497,-0.00
 047779,0.00011015,-0.00001363,-0.00009539,-0.00007138,-0.00005562,-0.0
 0000919,-0.00001358,-0.00001395,0.00000420,0.00000519,-0.00001503,0.00
 000414,0.00001179,0.00000221,-0.00000114,-0.00000314,0.00000007,0.0000
 0839,-0.00000047,-0.00000249,-0.00000005,0.00000344,-0.00000290,-0.000
 00585,0.00000009,-0.00000051,0.00000043,0.00000251,0.00000040,0.000002
 86,-0.00000002,-0.00001067,-0.00000091,-0.00000048,0.00017362,0.000933
 68,0.00071212,0.04953039,-0.00116187,-0.05680139,-0.00003699,0.0000363
 6,0.00003030,-0.05153704,0.00463349,0.05836034,-0.00000142,0.00003930,
 0.00003793,-0.00001794,-0.00000612,-0.00003470,0.00002073,0.00004132,0
 .00020561,0.00130907,-0.00068160,0.00053618,0.00018379,0.00015712,-0.0
 0015284,-0.00005376,0.00002341,0.00001852,-0.00001417,0.00001482,0.000
 01822,0.00000214,-0.00002571,-0.00002167,0.00000270,0.00000452,0.00000
 822,-0.00000017,0.00001616,0.00000678,0.00388160,-0.01647174,0.0034408
 0,-0.00236748,-0.00123188,-0.00294310,0.00076258,0.00001938,0.00052942
 ,0.00052625,-0.00123463,0.00002076,0.00000473,-0.00000091,-0.00000819,
 0.00003804,-0.00003934,-0.00007603,0.00000592,-0.00003251,-0.00002321,
 0.00002074,-0.00000945,0.00000499,0.00000879,0.00000087,-0.00000728,0.
 00001372,-0.00000351,-0.00000107,-0.00000244,-0.00000004,-0.00000119,0
 .00000203,-0.00001353,-0.00000349,-0.00000135,-0.00000123,-0.00000300,
 0.00000803,0.00000843,0.00000303,0.00000072,-0.00000119,-0.00000326,-0
 .00000157,-0.00000357,-0.00000020,0.00001088,0.00000453,0.00000233,0.0
 0040176,0.00067787,0.00034132,-0.07911341,0.08582087,-0.01568407,0.000
 11518,-0.00020848,-0.00024875,-0.00913324,0.02926150,-0.00624335,0.082
 40400,0.00010826,-0.00013560,-0.00000939,-0.00006654,0.00001443,-0.000
 12636,-0.00043244,0.00013510,0.00056422,0.00161886,0.00100590,0.000221
 34,-0.00029758,0.00031452,0.00000194,-0.00019304,-0.00002633,-0.000055
 77,-0.00000369,0.00003434,0.00000728,0.00000010,-0.00002115,-0.0000084
 7,0.00000830,0.00000517,0.00000485,0.00000086,0.00000992,0.00000392,0.
 00596563,-0.02049401,0.00396679,-0.00229959,0.00016956,-0.00228067,-0.
 00000792,-0.00015057,-0.00037892,0.00034101,-0.00178683,-0.00033642,-0
 .00001206,-0.00001380,-0.00000215,0.00006682,0.00005832,-0.00011323,-0
 .00000651,-0.00005469,-0.00004709,-0.00002309,-0.00000683,0.00000379,0
 .00000315,-0.00000211,-0.00000080,-0.00000604,0.00000179,-0.00000476,0
 .00000039,0.00000137,0.00000043,-0.00000303,-0.00000999,-0.00000174,-0
 .00000067,-0.00000049,-0.00000184,0.00000611,0.00000584,0.00000145,-0.
 00000013,-0.00000158,-0.00000119,-0.00000314,0.00000124,-0.00000153,0.
 00000673,0.00000232,0.00000187,0.00026059,0.00071497,-0.00026036,0.083
 07963,-0.27240391,0.04357290,0.00009633,-0.00008423,-0.00023392,0.0002
 8673,0.00085455,-0.00024380,-0.09054243,0.29771843,0.00022436,-0.00019
 973,0.00010253,0.00003189,0.00002841,-0.00016636,-0.00020751,0.0001814
 1,-0.00018324,0.00095122,0.00039684,0.00045724,0.00019073,0.00006404,0
 .00016977,-0.00016472,-0.00001721,-0.00001743,-0.00000018,0.00002523,0
 .00001217,0.00000598,-0.00001043,-0.00000405,0.00000012,-0.00000037,0.
 00000211,0.00000027,0.00000572,0.00000403,0.00569261,-0.02096247,0.002
 60636,-0.00386149,-0.00037239,-0.00368952,0.00077787,0.00038990,0.0013
 8795,0.00060820,-0.00137471,0.00023115,-0.00000592,0.00002176,-0.00000
 154,-0.00004823,0.00003868,0.00009870,0.00000113,0.00000502,-0.0000973
 7,-0.00000990,-0.00000505,0.00000694,0.00000664,0.00000425,-0.00000542
 ,0.00000724,-0.00000165,0.00000310,-0.00000027,-0.00000059,-0.00000156
 ,0.00000086,-0.00000385,-0.00000166,-0.00000063,0.00000037,-0.00000141
 ,0.00000199,0.00000104,0.00000074,0.00000047,0.00000056,-0.00000212,-0
 .00000023,-0.00000063,0.00000102,0.00000330,-0.00000017,0.00000008,0.0
 0072588,0.00046706,0.00060043,-0.01532782,0.04482980,-0.05527255,0.000
 21200,-0.00030905,-0.00028476,0.00198528,-0.00659175,0.00019721,0.0197
 2479,-0.04530074,0.05729975,-0.00036117,0.00010964,0.00014147,0.000051
 17,-0.00011130,0.00031241,-0.00005653,0.00008273,-0.00031848,0.0015521
 1,0.00080966,-0.00038709,-0.00048054,0.00024775,-0.00015484,0.00036659
 ,-0.00003809,-0.00013791,-0.00000318,-0.00002693,0.00003520,0.00000029
 ,-0.00001981,-0.00001589,0.00000151,0.00000594,0.00000451,-0.00000006,
 0.00001205,0.00000331,0.00126539,0.00378349,-0.01693991,0.00061280,0.0
 0031294,0.00095985,-0.00043618,-0.00017126,-0.00006820,-0.00000776,-0.
 00005699,-0.00031681,-0.00000212,-0.00002387,-0.00002175,-0.00043182,-
 0.00069374,0.00012558,0.00002007,-0.00004708,0.00011447,0.00001265,-0.
 00000361,0.00000537,0.00000029,0.00000036,-0.00000362,0.00002061,0.000
 00094,-0.00000135,-0.00000232,-0.00000070,-0.00000224,-0.00000015,-0.0
 0001188,-0.00000414,-0.00000201,-0.00000169,-0.00000122,0.00000771,0.0
 0000753,0.00000362,0.00000057,-0.00000134,-0.00000232,-0.00000174,-0.0
 0000218,-0.00000064,0.00000837,0.00000468,0.00000236,-0.00112212,-0.00
 244621,-0.00196912,-0.05357657,-0.00959339,0.04074621,0.00000891,0.000
 01106,0.00009092,-0.00404748,-0.00763461,0.03100977,0.00098352,0.00204
 839,-0.01152592,0.05561916,-0.00017294,-0.00007892,0.00013746,0.000074
 14,-0.00006017,0.00021868,0.00003241,0.00005085,-0.00047555,0.00102418
 ,0.00054482,0.00069603,-0.00027426,0.00017870,-0.00004507,0.00021210,0
 .00004804,-0.00008641,0.00000640,-0.00002918,0.00001904,0.00000282,0.0
 0000460,-0.00000269,-0.00000447,-0.00000271,0.,-0.00000034,-0.00000194
 ,0.00000046,0.00322417,0.00453778,-0.02320170,0.00019495,0.00121336,-0
 .00221271,0.00008093,-0.00068460,0.00102293,0.00015489,0.00047406,0.00
 098947,-0.00002074,0.00000502,-0.00000868,-0.00054861,-0.00020546,0.00
 011826,0.00003685,-0.00008317,0.00003187,-0.00000410,-0.00000943,-0.00
 000726,0.00000281,0.00000250,-0.00000354,0.00001042,0.00000171,-0.0000
 0091,-0.00000113,-0.00000252,-0.00000225,0.00000120,0.00000296,-0.0000
 0040,0.00000020,0.00000088,0.00000008,-0.00000181,-0.00000088,-0.00000
 079,0.00000064,0.00000111,-0.00000082,0.00000083,-0.00000071,0.0000008
 5,-0.00000111,-0.00000037,-0.00000082,-0.00241252,-0.00303770,-0.00266
 304,-0.00995909,-0.06058867,0.06224733,0.00003360,-0.00019916,0.000042
 87,0.00044225,-0.00046824,-0.00181008,-0.00558223,-0.00585564,0.028690
 68,0.01344754,0.06424308,-0.00043265,0.00011025,0.00023423,0.00002559,
 -0.00017029,0.00032486,0.00009482,0.00056488,-0.00013639,0.00151539,-0
 .00002217,0.00065744,-0.00047396,0.00024675,-0.00017771,0.00037121,0.0
 0000705,-0.00005846,0.00000316,-0.00004108,0.00001630,-0.00000484,-0.0
 0000037,-0.00000187,-0.00000046,0.00000305,0.00000024,-0.00000023,0.00
 000039,-0.00000210,0.00213936,0.00253376,-0.02062976,-0.00125662,0.002
 29636,-0.00236496,0.00067860,0.00054644,0.00222405,0.00022839,-0.00025
 316,0.00066496,-0.00003189,0.00002186,0.00000306,0.00016033,-0.0002667
 5,0.00043523,0.00003663,-0.00007363,0.00012597,-0.00001243,-0.00002120
 ,-0.00001162,-0.00000605,0.00000107,0.00000103,0.00000837,0.00000407,-
 0.00000179,-0.00000113,-0.00000150,-0.00000073,-0.00000048,-0.00000382
 ,-0.00000401,-0.00000279,-0.00000045,0.00000219,0.00000363,0.00000245,
 0.00000140,0.,-0.00000055,0.00000074,-0.00000017,-0.00000094,-0.000000
 55,0.00000116,0.00000246,0.00000063,-0.00211491,-0.00282257,-0.0005562
 7,0.03917240,0.05892338,-0.29450232,0.00003071,-0.00011544,-0.00002350
 ,0.00099591,0.00116465,-0.00446471,0.00055652,0.00105836,-0.00345228,-
 0.04168358,-0.06369329,0.32169668\\-0.00000404,-0.00000132,-0.00000010
 ,-0.00000391,-0.00000241,0.00000406,-0.00000001,-0.00000001,0.00000032
 ,0.00001076,-0.00000044,-0.00000315,-0.00000699,0.00000600,0.00000014,
 0.00000575,-0.00000043,-0.00000293,0.00000405,-0.00001132,-0.00000769,
 0.00000169,-0.00000290,0.00000365,0.00000030,0.00000654,-0.00000088,0.
 00000431,0.00000325,-0.00000008,-0.00001736,-0.00000820,-0.00000164,0.
 00000329,-0.00000600,-0.00000664,0.00000100,0.00000255,0.00000418,-0.0
 0000123,0.00000617,0.00000232,0.00000015,0.00000044,-0.00000062,0.0000
 0058,-0.00000021,-0.00000073,0.00000055,-0.00000154,0.00000026,-0.0000
 0080,-0.00000038,0.00000090,-0.00000164,0.00000272,0.00000351,-0.00000
 384,0.00000184,0.00000139,0.00000102,0.00000282,-0.00000331,0.00000062
 ,-0.00000008,0.00000153,0.00000090,-0.00000257,0.00000192,-0.00000036,
 0.00000111,0.00000085,-0.00000216,0.00000052,0.00000139,-0.00000022,-0
 .00000001,0.00000080,0.00000159,-0.00000046,0.00000208,0.00000370,-0.0
 0000102,-0.00000207,0.00000114,0.00000481,0.00000471,0.00000007,0.0000
 0156,0.00000016,0.00000081,-0.00000007,-0.00000070,0.00000045,-0.00000
 046,-0.00000213,-0.00000015,-0.00000052,-0.00000152\\\@


 SI MONUMENTUM REQUIRIS, CIRCUMSPICE
     -- FROM SIR CHRISTOPHER WREN'S TOMBSTONE
 Job cpu time:       0 days 13 hours 12 minutes  2.3 seconds.
 Elapsed time:       0 days  1 hours 39 minutes  4.0 seconds.
 File lengths (MBytes):  RWF=    604 Int=      0 D2E=      0 Chk=     24 Scr=      2
 Normal termination of Gaussian 16 at Mon Sep 27 11:19:26 2021.
